2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide

C18H17N5O — CID 44520988

IUPAC2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1cc(-c2ccccc2)nc(N)n1
InChIInChI=1S/C18H17N5O/c1-12-6-5-9-20-16(12)11-21-17(24)15-10-14(22-18(19)23-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23)
InChIKeyUKTAKBCSHJYUMF-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.36
Rot. Bonds4

About 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide

2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide (PubChem CID 44520988) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide
PubChem CID44520988
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1cc(-c2ccccc2)nc(N)n1
InChIInChI=1S/C18H17N5O/c1-12-6-5-9-20-16(12)11-21-17(24)15-10-14(22-18(19)23-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23)
InChIKeyUKTAKBCSHJYUMF-UHFFFAOYSA-N
XLogP2.36
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide 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

Mocetinostat
CID 9865515
Imatinib
CID 5291
Olorofim
CID 91885568
BPKDi
CID 46901383
4-((4-Methyl-1-piperazinyl)methyl)-N-(3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-benzamide
CID 4369496
Jnk-IN-8
CID 57340686
Pyrimidine-4,6-dicarboxylic acid bis-(4-fluoro-3-methyl-benzylamide)
CID 5289110
Cgp-74588
CID 9869737
2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11357740
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
Jnk-IN-7
CID 57340685

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide (CID 44520988) is 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide is Cc1cccnc1CNC(=O)c1cc(-c2ccccc2)nc(N)n1.
What is the InChIKey of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide?
The InChIKey is UKTAKBCSHJYUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-6-5-9-20-16(12)11-21-17(24)15-10-14(22-18(19)23-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23).
What are the key properties of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide?
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 44520988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).