6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C19H24N4O2 — CID 109324696

IUPAC6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(CNc2nc(C)cc(C(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-13-5-7-15(8-6-13)11-21-19-22-14(2)10-17(23-19)18(24)20-12-16-4-3-9-25-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyNSMAXEUYNYMJDZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.61
Rot. Bonds6

About 6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109324696) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109324696
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(CNc2nc(C)cc(C(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-13-5-7-15(8-6-13)11-21-19-22-14(2)10-17(23-19)18(24)20-12-16-4-3-9-25-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyNSMAXEUYNYMJDZ-UHFFFAOYSA-N
XLogP2.61
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(oxolan-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109324709
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324560
N-[(2-chlorophenyl)methyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324545
2-(2-chloro-4,6-dimethylanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324782
6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365850
N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324672
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324832
2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 95739732
N-(2,6-dimethylphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327827

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109324696) is 6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is Cc1ccc(CNc2nc(C)cc(C(=O)NCC3CCCO3)n2)cc1.
What is the InChIKey of 6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is NSMAXEUYNYMJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-5-7-15(8-6-13)11-21-19-22-14(2)10-17(23-19)18(24)20-12-16-4-3-9-25-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109324696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).