6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C17H20N4O3 — CID 109343986

IUPAC6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NCC2CCCO2)ncn1
InChIInChI=1S/C17H20N4O3/c1-23-15-7-3-2-6-13(15)21-16-9-14(19-11-20-16)17(22)18-10-12-5-4-8-24-12/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyOCUCVWISFRYYIV-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.14
Rot. Bonds6

About 6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109343986) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109343986
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NCC2CCCO2)ncn1
InChIInChI=1S/C17H20N4O3/c1-23-15-7-3-2-6-13(15)21-16-9-14(19-11-20-16)17(22)18-10-12-5-4-8-24-12/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyOCUCVWISFRYYIV-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109343992
6-(4-chloro-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344039
N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343813
4-N-(2-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857301
N-(oxolan-2-ylmethyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109344046
2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 51250549
6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365939
N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343818
6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344009
N-(oxolan-2-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109343999
6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343981
N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109343930

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109343986) is 6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is COc1ccccc1Nc1cc(C(=O)NCC2CCCO2)ncn1.
What is the InChIKey of 6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is OCUCVWISFRYYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-15-7-3-2-6-13(15)21-16-9-14(19-11-20-16)17(22)18-10-12-5-4-8-24-12/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).