4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate

C64H67F3N16O2 — CID 162108840

IUPAC4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
SMILESCC(N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1.CC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1.CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1
InChIInChI=1S/C23H21FN8.C23H27FN4O2.C18H19FN4/c1-13(30-23-16(11-25)22(26)28-12-29-23)20-19(18-6-4-5-9-27-18)21(32(2)3)15-10-14(24)7-8-17(15)31-20;1-14(26-22(29)30-23(2,3)4)20-19(18-9-7-8-12-25-18)21(28(5)6)16-13-15(24)10-11-17(16)27-20;1-11(20)17-16(15-6-4-5-9-21-15)18(23(2)3)13-10-12(19)7-8-14(13)22-17/h4-10,12-13H,1-3H3,(H3,26,28,29,30);7-14H,1-6H3,(H,26,29);4-11H,20H2,1-3H3
InChIKeyZFWMBXBHFIATFO-UHFFFAOYSA-N
MW1149.34 g/mol
LogP12.53
Rot. Bonds12

About 4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate

4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate (PubChem CID 162108840) has the molecular formula C64H67F3N16O2 and a molecular weight of 1149.34 g/mol. Its IUPAC name is 4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Name4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
PubChem CID162108840
Molecular FormulaC64H67F3N16O2
Molecular Weight1149.34 g/mol
Exact Mass1148.56
IUPAC Name4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
SMILESCC(N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1.CC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1.CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1
InChIInChI=1S/C23H21FN8.C23H27FN4O2.C18H19FN4/c1-13(30-23-16(11-25)22(26)28-12-29-23)20-19(18-6-4-5-9-27-18)21(32(2)3)15-10-14(24)7-8-17(15)31-20;1-14(26-22(29)30-23(2,3)4)20-19(18-9-7-8-12-25-18)21(28(5)6)16-13-15(24)10-11-17(16)27-20;1-11(20)17-16(15-6-4-5-9-21-15)18(23(2)3)13-10-12(19)7-8-14(13)22-17/h4-10,12-13H,1-3H3,(H3,26,28,29,30);7-14H,1-6H3,(H,26,29);4-11H,20H2,1-3H3
InChIKeyZFWMBXBHFIATFO-UHFFFAOYSA-N
XLogP12.53
TPSA239.03 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001149.34
LogP ≤ 512.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate with MolForge

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Related Compounds

4-Amino-6-[1-(6-fluoro-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 49871864
4-Amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 49872243
4-Amino-6-[1-[6-fluoro-4-(piperazine-1-carbonyl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 49873242
4-amino-6-[[(1S)-1-(6-fluoro-3,4-dipyridin-2-ylquinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 57330208
2-(1-(6-Amino-5-cyanopyrimidin-4-ylamino)ethyl)-6-fluoro-3-(pyridin-2-yl)quinoline-4-carbonitrile
CID 59634692
(S)-4-amino-6-(1-(6-fluoro-4-(3-methylpyridin-2-yl)-3-(pyridin-2-yl)quinolin-2-yl)ethylamino)pyrimidine-5-carbonitrile
CID 86695297
Tert-butyl 4-[6-[[5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 166634660
2,4-diamino-6-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 130419013
2,4-Diamino-6-[1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 130419035
4-amino-6-[[(1S)-1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 118729950
tert-butyl N-[4-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]butyl]carbamate
CID 145975537
tert-butyl (1S,4S,5S)-5-[[4-(4-cyano-2-fluoroanilino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 145986139

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?
The IUPAC name of 4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate (CID 162108840) is 4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate.
What is the SMILES notation for 4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?
The canonical SMILES for 4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate is CC(N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1.CC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1.CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1.
What is the InChIKey of 4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?
The InChIKey is ZFWMBXBHFIATFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8.C23H27FN4O2.C18H19FN4/c1-13(30-23-16(11-25)22(26)28-12-29-23)20-19(18-6-4-5-9-27-18)21(32(2)3)15-10-14(24)7-8-17(15)31-20;1-14(26-22(29)30-23(2,3)4)20-19(18-9-7-8-12-25-18)21(28(5)6)16-13-15(24)10-11-17(16)27-20;1-11(20)17-16(15-6-4-5-9-21-15)18(23(2)3)13-10-12(19)7-8-14(13)22-17/h4-10,12-13H,1-3H3,(H3,26,28,29,30);7-14H,1-6H3,(H,26,29);4-11H,20H2,1-3H3.
What are the key properties of 4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?
4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate has a molecular weight of 1149.34 g/mol, XLogP of 12.53, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile;2-(1-aminoethyl)-6-fluoro-N,N-dimethyl-3-pyridin-2-ylquinolin-4-amine;tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate is sourced from PubChem (CID 162108840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).