N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide

C16H15N5O — CID 109319833

IUPACN-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C#N)cc2)nc(NC2CC2)n1
InChIInChI=1S/C16H15N5O/c1-10-8-14(21-16(18-10)20-13-6-7-13)15(22)19-12-4-2-11(9-17)3-5-12/h2-5,8,13H,6-7H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyAODKTMBCZKATDR-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.48
Rot. Bonds4

About N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide

N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109319833) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109319833
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C#N)cc2)nc(NC2CC2)n1
InChIInChI=1S/C16H15N5O/c1-10-8-14(21-16(18-10)20-13-6-7-13)15(22)19-12-4-2-11(9-17)3-5-12/h2-5,8,13H,6-7H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyAODKTMBCZKATDR-UHFFFAOYSA-N
XLogP2.48
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109319750
N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
2-(cyclopropylamino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109319778
2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
N-(4-acetylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322046
2-(4-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336944
N-(4-acetylphenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322740
2-(3-chloro-4-methylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337316
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519
2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338130
N-(3-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]-6-methylpyrimidine-4-carboxamide
CID 109331355
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109319743

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide (CID 109319833) is N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C#N)cc2)nc(NC2CC2)n1.
What is the InChIKey of N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is AODKTMBCZKATDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10-8-14(21-16(18-10)20-13-6-7-13)15(22)19-12-4-2-11(9-17)3-5-12/h2-5,8,13H,6-7H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide?
N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).