N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

C17H20N4O3 — CID 109343813

IUPACN-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C17H20N4O3/c1-23-15-7-3-2-6-13(15)21-17(22)14-9-16(20-11-19-14)18-10-12-5-4-8-24-12/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyXCFOJSXTSQSXAX-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.33
Rot. Bonds6

About N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109343813) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109343813
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C17H20N4O3/c1-23-15-7-3-2-6-13(15)21-17(22)14-9-16(20-11-19-14)18-10-12-5-4-8-24-12/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyXCFOJSXTSQSXAX-UHFFFAOYSA-N
XLogP2.33
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343818
6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343986
6-(oxolan-2-ylmethylamino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109343791
4-N-(2-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857301
N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343781
N-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343802
N-[(2-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343712
N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343844
N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109277030
6-(4-chloro-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344039
N-(2,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185219
N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109343992

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109343813) is N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(NCC2CCCO2)ncn1.
What is the InChIKey of N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is XCFOJSXTSQSXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-15-7-3-2-6-13(15)21-17(22)14-9-16(20-11-19-14)18-10-12-5-4-8-24-12/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).