N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide

C18H20N4O3 — CID 109252625

IUPACN-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(NCC3CCCO3)nc2)cc1
InChIInChI=1S/C18H20N4O3/c1-12(23)13-4-6-15(7-5-13)22-17(24)14-9-19-18(20-10-14)21-11-16-3-2-8-25-16/h4-7,9-10,16H,2-3,8,11H2,1H3,(H,22,24)(H,19,20,21)
InChIKeyKTWOHXYBDUJBPJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.52
Rot. Bonds6

About N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide

N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109252625) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109252625
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(NCC3CCCO3)nc2)cc1
InChIInChI=1S/C18H20N4O3/c1-12(23)13-4-6-15(7-5-13)22-17(24)14-9-19-18(20-10-14)21-11-16-3-2-8-25-16/h4-7,9-10,16H,2-3,8,11H2,1H3,(H,22,24)(H,19,20,21)
InChIKeyKTWOHXYBDUJBPJ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252640
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252451
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
methyl 3-[[2-(oxolan-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109252629
N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252602
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155
6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109153576
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109252524
N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251671
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109252625) is N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide is CC(=O)c1ccc(NC(=O)c2cnc(NCC3CCCO3)nc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is KTWOHXYBDUJBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(23)13-4-6-15(7-5-13)22-17(24)14-9-19-18(20-10-14)21-11-16-3-2-8-25-16/h4-7,9-10,16H,2-3,8,11H2,1H3,(H,22,24)(H,19,20,21).
What are the key properties of N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).