2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

C18H21Cl2N5O — CID 155089339

IUPAC2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCC(N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H21Cl2N5O/c1-9-14(12-6-3-7-13(19)15(12)20)16(17(22)26)25-18(23-9)24-11-5-2-4-10(21)8-11/h3,6-7,10-11H,2,4-5,8,21H2,1H3,(H2,22,26)(H,23,24,25)
InChIKeyQIPGUJJZESIZDZ-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.54
Rot. Bonds4

About 2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 155089339) has the molecular formula C18H21Cl2N5O and a molecular weight of 394.31 g/mol. Its IUPAC name is 2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID155089339
Molecular FormulaC18H21Cl2N5O
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCC(N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H21Cl2N5O/c1-9-14(12-6-3-7-13(19)15(12)20)16(17(22)26)25-18(23-9)24-11-5-2-4-10(21)8-11/h3,6-7,10-11H,2,4-5,8,21H2,1H3,(H2,22,26)(H,23,24,25)
InChIKeyQIPGUJJZESIZDZ-UHFFFAOYSA-N
XLogP3.54
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)benzamide
CID 23027211
3-chloro-N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)benzamide
CID 23027402
6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide
CID 67218711
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride
CID 52947968
(2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone
CID 86281818
2-(4-Amino-4-methyl-piperidin-1-yl)-5-(2-chloro-3-trifluoromethyl-phenyl)-6-methyl-pyrimidine-4-carboxylic acid amide
CID 155089478
6-amino-2-[(1R)-1-amino-3,3-difluoro-8-azaspiro[4.5]-decan-8-yl]-5-(2,3-dichloro-phenyl)-pyrimidine-4-carboxamide
CID 155089505
(5M)-2-[(1R)-1-amino-3,3-difluoro-8-azaspiro[4.5]-decan-8-yl]-5-(2,3-dichloro-phenyl)-6-methylpyrimidine-4-carboxamide
CID 155095699
(5M)-2-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155089443
(5P)-6-amino-2-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095692
N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide
CID 155542814
2-(4-Amino-4-methyl-piperidin-1-yl)-5-(2-chloro-4-fluoro-phenyl)-6-methyl-pyrimidine-4-carboxylic acid amide
CID 155089568

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (CID 155089339) is 2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1nc(NC2CCCC(N)C2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is QIPGUJJZESIZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O/c1-9-14(12-6-3-7-13(19)15(12)20)16(17(22)26)25-18(23-9)24-11-5-2-4-10(21)8-11/h3,6-7,10-11H,2,4-5,8,21H2,1H3,(H2,22,26)(H,23,24,25).
What are the key properties of 2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 394.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexyl)amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 155089339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).