3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine

C139H214F5N41O — CID 159697420

IUPAC3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CNc1cc(C(F)(F)F)ccn1.CNc1cc(C)ccn1.CNc1cc2ccccc2cn1.CNc1ccc(C)cn1.CNc1cccc(C)n1.CNc1cccc(C)n1.CNc1ccccn1.CNc1cccnc1.CNc1cnc2ccccc2c1.CNc1cnc2ccccc2n1.CNc1cnccn1.CNc1ncc2ccccc2n1.CNc1nccc(OC)n1.CNc1nccc2cccnc12.CNc1ncccc1C(C)(F)F.CNc1ncccn1.CNc1ncccn1
InChIInChI=1S/2C10H10N2.3C9H9N3.C8H10F2N2.C7H7F3N2.4C7H10N2.C6H9N3O.2C6H8N2.3C5H7N3.16CH4/c1-11-9-6-8-4-2-3-5-10(8)12-7-9;1-11-10-6-8-4-2-3-5-9(8)7-12-10;1-10-9-8-7(4-6-12-9)3-2-5-11-8;1-10-9-6-11-7-4-2-3-5-8(7)12-9;1-10-9-11-6-7-4-2-3-5-8(7)12-9;1-8(9,10)6-4-3-5-12-7(6)11-2;1-11-6-4-5(2-3-12-6)7(8,9)10;1-6-3-4-9-7(5-6)8-2;1-6-3-4-7(8-2)9-5-6;2*1-6-4-3-5-7(8-2)9-6;1-7-6-8-4-3-5(9-6)10-2;1-7-6-3-2-4-8-5-6;1-7-6-4-2-3-5-8-6;1-6-5-4-7-2-3-8-5;2*1-6-5-7-3-2-4-8-5;;;;;;;;;;;;;;;;/h2-7,11H,1H3;2-7H,1H3,(H,11,12);2*2-6H,1H3,(H,10,12);2-6H,1H3,(H,10,11,12);3-5H,1-2H3,(H,11,12);2-4H,1H3,(H,11,12);4*3-5H,1-2H3,(H,8,9);3-4H,1-2H3,(H,7,8,9);2-5,7H,1H3;2-5H,1H3,(H,7,8);2-4H,1H3,(H,6,8);2*2-4H,1H3,(H,6,7,8);16*1H4
InChIKeyMXEOXZBQONRVPV-UHFFFAOYSA-N
MW2570.52 g/mol
LogP34.18
Rot. Bonds19

About 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine

3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 159697420) has the molecular formula C139H214F5N41O and a molecular weight of 2570.52 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID159697420
Molecular FormulaC139H214F5N41O
Molecular Weight2570.52 g/mol
Exact Mass2568.79
IUPAC Name3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CNc1cc(C(F)(F)F)ccn1.CNc1cc(C)ccn1.CNc1cc2ccccc2cn1.CNc1ccc(C)cn1.CNc1cccc(C)n1.CNc1cccc(C)n1.CNc1ccccn1.CNc1cccnc1.CNc1cnc2ccccc2c1.CNc1cnc2ccccc2n1.CNc1cnccn1.CNc1ncc2ccccc2n1.CNc1nccc(OC)n1.CNc1nccc2cccnc12.CNc1ncccc1C(C)(F)F.CNc1ncccn1.CNc1ncccn1
InChIInChI=1S/2C10H10N2.3C9H9N3.C8H10F2N2.C7H7F3N2.4C7H10N2.C6H9N3O.2C6H8N2.3C5H7N3.16CH4/c1-11-9-6-8-4-2-3-5-10(8)12-7-9;1-11-10-6-8-4-2-3-5-9(8)7-12-10;1-10-9-8-7(4-6-12-9)3-2-5-11-8;1-10-9-6-11-7-4-2-3-5-8(7)12-9;1-10-9-11-6-7-4-2-3-5-8(7)12-9;1-8(9,10)6-4-3-5-12-7(6)11-2;1-11-6-4-5(2-3-12-6)7(8,9)10;1-6-3-4-9-7(5-6)8-2;1-6-3-4-7(8-2)9-5-6;2*1-6-4-3-5-7(8-2)9-6;1-7-6-8-4-3-5(9-6)10-2;1-7-6-3-2-4-8-5-6;1-7-6-4-2-3-5-8-6;1-6-5-4-7-2-3-8-5;2*1-6-5-7-3-2-4-8-5;;;;;;;;;;;;;;;;/h2-7,11H,1H3;2-7H,1H3,(H,11,12);2*2-6H,1H3,(H,10,12);2-6H,1H3,(H,10,11,12);3-5H,1-2H3,(H,11,12);2-4H,1H3,(H,11,12);4*3-5H,1-2H3,(H,8,9);3-4H,1-2H3,(H,7,8,9);2-5,7H,1H3;2-5H,1H3,(H,7,8);2-4H,1H3,(H,6,8);2*2-4H,1H3,(H,6,7,8);16*1H4
InChIKeyMXEOXZBQONRVPV-UHFFFAOYSA-N
XLogP34.18
TPSA523.10 Ų
H-Bond Donors17
H-Bond Acceptors42
Rotatable Bonds19
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002570.52
LogP ≤ 534.18
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1042

Analyze 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6,7-Difluoro-3-quinolylamino)-2-{5-methoxy-6-[3-(trifluoromethyl)-1-piperazinyl]-3-pyridylamino}pyrimidine
CID 176210431
4-(6,7-Difluoro-3-quinolylamino)-2-[5-methoxy-6-(1-piperazinyl)-3-pyridylamino]pyrimidine
CID 176369052
1-{5-[4-(6,7-Difluoro-3-quinolylamino)-2-pyrimidinylamino]-4-methoxy-2-pyridyl}-4-methyl-4-piperidinol
CID 176369099
4-(6,7-Difluoro-3-quinolylamino)-2-{5-methoxy-6-[4-methyl-3-(trifluoromethyl)-1-piperazinyl]-3-pyridylamino}pyrimidine
CID 176369125
4-(6,7-Difluoro-3-quinolylamino)-2-[4-methoxy-6-(4-methy1-1-piperazinyl)-3-pyridylamino]pyrimidine
CID 176369126
4-(6,7-Difluoro-3-quinolylamino)-2-{5-methoxy-6-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]-3-pyridylamino}pyrimidine
CID 176369207
2-{6-[3-(Difluoromethyl)-1-piperazinyl]-5-methoxy-3-pyridylamino}-4-(6,7-difluoro-3-quinolylamino)pyrimidine
CID 176369250
N-[4-ethoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(fluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine
CID 71079755
3-[5-(fluoromethyl)pyrimidin-4-yl]-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyrido[2,3-b]pyrazin-8-amine
CID 71079822
[4-(5-Methoxy-4-piperazin-1-yl-pyrido[3,4-d]pyrimidin-2-yl)-pyridin-2-yl]-(2-trifluoromethyl-phenyl)-amine
CID 86716755
1,2-Bis[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis[2-(trifluoromethyl)phenyl]hydrazine
CID 90101103
6-methoxy-N-[[(9S)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-yl]methyl]pyrimidin-4-amine
CID 132224106

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 159697420) is 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CNc1cc(C(F)(F)F)ccn1.CNc1cc(C)ccn1.CNc1cc2ccccc2cn1.CNc1ccc(C)cn1.CNc1cccc(C)n1.CNc1cccc(C)n1.CNc1ccccn1.CNc1cccnc1.CNc1cnc2ccccc2c1.CNc1cnc2ccccc2n1.CNc1cnccn1.CNc1ncc2ccccc2n1.CNc1nccc(OC)n1.CNc1nccc2cccnc12.CNc1ncccc1C(C)(F)F.CNc1ncccn1.CNc1ncccn1.
What is the InChIKey of 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MXEOXZBQONRVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10N2.3C9H9N3.C8H10F2N2.C7H7F3N2.4C7H10N2.C6H9N3O.2C6H8N2.3C5H7N3.16CH4/c1-11-9-6-8-4-2-3-5-10(8)12-7-9;1-11-10-6-8-4-2-3-5-9(8)7-12-10;1-10-9-8-7(4-6-12-9)3-2-5-11-8;1-10-9-6-11-7-4-2-3-5-8(7)12-9;1-10-9-11-6-7-4-2-3-5-8(7)12-9;1-8(9,10)6-4-3-5-12-7(6)11-2;1-11-6-4-5(2-3-12-6)7(8,9)10;1-6-3-4-9-7(5-6)8-2;1-6-3-4-7(8-2)9-5-6;2*1-6-4-3-5-7(8-2)9-6;1-7-6-8-4-3-5(9-6)10-2;1-7-6-3-2-4-8-5-6;1-7-6-4-2-3-5-8-6;1-6-5-4-7-2-3-8-5;2*1-6-5-7-3-2-4-8-5;;;;;;;;;;;;;;;;/h2-7,11H,1H3;2-7H,1H3,(H,11,12);2*2-6H,1H3,(H,10,12);2-6H,1H3,(H,10,11,12);3-5H,1-2H3,(H,11,12);2-4H,1H3,(H,11,12);4*3-5H,1-2H3,(H,8,9);3-4H,1-2H3,(H,7,8,9);2-5,7H,1H3;2-5H,1H3,(H,7,8);2-4H,1H3,(H,6,8);2*2-4H,1H3,(H,6,7,8);16*1H4.
What are the key properties of 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine?
3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 2570.52 g/mol, XLogP of 34.18, 19 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine;N,4-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;bis(N,6-dimethylpyridin-2-amine);methane;4-methoxy-N-methylpyrimidin-2-amine;N-methylisoquinolin-3-amine;N-methyl-1,7-naphthyridin-8-amine;N-methylpyrazin-2-amine;N-methylpyridin-2-amine;N-methylpyridin-3-amine;bis(N-methylpyrimidin-2-amine);N-methylquinazolin-2-amine;N-methylquinolin-3-amine;N-methylquinoxalin-2-amine;N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159697420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).