2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C18H20N4O3 — CID 109300998

IUPAC2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nccc(C(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C18H20N4O3/c1-12(23)13-4-6-14(7-5-13)21-18-19-9-8-16(22-18)17(24)20-11-15-3-2-10-25-15/h4-9,15H,2-3,10-11H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyNPKINCXBAOACOY-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.33
Rot. Bonds6

About 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109300998) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109300998
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nccc(C(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C18H20N4O3/c1-12(23)13-4-6-14(7-5-13)21-18-19-9-8-16(22-18)17(24)20-11-15-3-2-10-25-15/h4-9,15H,2-3,10-11H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyNPKINCXBAOACOY-UHFFFAOYSA-N
XLogP2.33
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109300990
2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301029
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252451
5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 109276874
2-(2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300951
2-[2,6-di(propan-2-yl)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301022
2-(2-chloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300970
2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300968
N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109300934
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 99780202
2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300891
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109300998) is 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is CC(=O)c1ccc(Nc2nccc(C(=O)NCC3CCCO3)n2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is NPKINCXBAOACOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(23)13-4-6-14(7-5-13)21-18-19-9-8-16(22-18)17(24)20-11-15-3-2-10-25-15/h4-9,15H,2-3,10-11H2,1H3,(H,20,24)(H,19,21,22).
What are the key properties of 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 340.38 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 2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).