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

C19H24N4O3 — CID 109365850

IUPAC6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)NCC3CCCO3)nc(C)n2)cc1
InChIInChI=1S/C19H24N4O3/c1-13-22-17(19(24)21-12-16-4-3-9-26-16)10-18(23-13)20-11-14-5-7-15(25-2)8-6-14/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyZMKGBLTYBKWFQW-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.31
Rot. Bonds7

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

6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109365850) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109365850
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)NCC3CCCO3)nc(C)n2)cc1
InChIInChI=1S/C19H24N4O3/c1-13-22-17(19(24)21-12-16-4-3-9-26-16)10-18(23-13)20-11-14-5-7-15(25-2)8-6-14/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyZMKGBLTYBKWFQW-UHFFFAOYSA-N
XLogP2.31
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365694
6-(2-methoxyethylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109364622
N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365780
6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365935
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
6-(butylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109361556
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365986
6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365939
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324696

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109365850) is 6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is COc1ccc(CNc2cc(C(=O)NCC3CCCO3)nc(C)n2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is ZMKGBLTYBKWFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-22-17(19(24)21-12-16-4-3-9-26-16)10-18(23-13)20-11-14-5-7-15(25-2)8-6-14/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of 6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109365850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).