6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C20H21N5O — CID 109327463

IUPAC6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2C)nc(NCc2ccccn2)n1
InChIInChI=1S/C20H21N5O/c1-14-7-3-4-8-16(14)12-22-19(26)18-11-15(2)24-20(25-18)23-13-17-9-5-6-10-21-17/h3-11H,12-13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyVWPBDSBMZPIPFS-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.03
Rot. Bonds6

About 6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109327463) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109327463
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2C)nc(NCc2ccccn2)n1
InChIInChI=1S/C20H21N5O/c1-14-7-3-4-8-16(14)12-22-19(26)18-11-15(2)24-20(25-18)23-13-17-9-5-6-10-21-17/h3-11H,12-13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyVWPBDSBMZPIPFS-UHFFFAOYSA-N
XLogP3.03
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329638
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327468
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329621
2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109321942
6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329667
2-[2-(4-chlorophenyl)ethylamino]-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327477
2-(2-chloroanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327516
6-methyl-2-(3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329774
N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329690
N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329721
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109327440

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109327463) is 6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccccc2C)nc(NCc2ccccn2)n1.
What is the InChIKey of 6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is VWPBDSBMZPIPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-7-3-4-8-16(14)12-22-19(26)18-11-15(2)24-20(25-18)23-13-17-9-5-6-10-21-17/h3-11H,12-13H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109327463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).