N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

C18H22N4O3 — CID 109343818

IUPACN-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C18H22N4O3/c1-12-5-6-16(24-2)14(8-12)22-18(23)15-9-17(21-11-20-15)19-10-13-4-3-7-25-13/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyAIBLFIMVGFCWCK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.64
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109343818) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109343818
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C18H22N4O3/c1-12-5-6-16(24-2)14(8-12)22-18(23)15-9-17(21-11-20-15)19-10-13-4-3-7-25-13/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyAIBLFIMVGFCWCK-UHFFFAOYSA-N
XLogP2.64
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343813
N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343781
N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109277030
6-(oxolan-2-ylmethylamino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109343791
N-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343802
6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365939
6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343986
N-(2,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185219
6-(4-chloro-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344039
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247
N-(2-methoxy-5-methylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350218
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109343818) is N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(NCC2CCCO2)ncn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is AIBLFIMVGFCWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-5-6-16(24-2)14(8-12)22-18(23)15-9-17(21-11-20-15)19-10-13-4-3-7-25-13/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).