2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide

C20H21N5O — CID 95219513

IUPAC2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1ccc(C)c([C@@H](NC(=O)c2cc(C)nc(N)n2)c2cccnc2)c1
InChIInChI=1S/C20H21N5O/c1-12-6-7-13(2)16(9-12)18(15-5-4-8-22-11-15)25-19(26)17-10-14(3)23-20(21)24-17/h4-11,18H,1-3H3,(H,25,26)(H2,21,23,24)/t18-/m0/s1
InChIKeyMFMDERHREHACTB-SFHVURJKSA-N
MW347.42 g/mol
LogP2.90
Rot. Bonds4

About 2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide

2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 95219513) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID95219513
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1ccc(C)c([C@@H](NC(=O)c2cc(C)nc(N)n2)c2cccnc2)c1
InChIInChI=1S/C20H21N5O/c1-12-6-7-13(2)16(9-12)18(15-5-4-8-22-11-15)25-19(26)17-10-14(3)23-20(21)24-17/h4-11,18H,1-3H3,(H,25,26)(H2,21,23,24)/t18-/m0/s1
InChIKeyMFMDERHREHACTB-SFHVURJKSA-N
XLogP2.90
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide (CID 95219513) is 2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide is Cc1ccc(C)c([C@@H](NC(=O)c2cc(C)nc(N)n2)c2cccnc2)c1.
What is the InChIKey of 2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is MFMDERHREHACTB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12-6-7-13(2)16(9-12)18(15-5-4-8-22-11-15)25-19(26)17-10-14(3)23-20(21)24-17/h4-11,18H,1-3H3,(H,25,26)(H2,21,23,24)/t18-/m0/s1.
What are the key properties of 2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide?
2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 95219513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).