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

C16H17ClN4O2 — CID 109252599

IUPACN-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C16H17ClN4O2/c17-12-3-5-13(6-4-12)21-15(22)11-8-18-16(19-9-11)20-10-14-2-1-7-23-14/h3-6,8-9,14H,1-2,7,10H2,(H,21,22)(H,18,19,20)
InChIKeyWWUGYTMIEUXLSR-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.97
Rot. Bonds5

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

N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109252599) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109252599
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C16H17ClN4O2/c17-12-3-5-13(6-4-12)21-15(22)11-8-18-16(19-9-11)20-10-14-2-1-7-23-14/h3-6,8-9,14H,1-2,7,10H2,(H,21,22)(H,18,19,20)
InChIKeyWWUGYTMIEUXLSR-UHFFFAOYSA-N
XLogP2.97
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252625
N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252602
2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252640
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
N-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343802
methyl 3-[[2-(oxolan-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109252629
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981202
N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153607
2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109252524
6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109153576
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252395

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109252599) is N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cnc(NCC2CCCO2)nc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is WWUGYTMIEUXLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-12-3-5-13(6-4-12)21-15(22)11-8-18-16(19-9-11)20-10-14-2-1-7-23-14/h3-6,8-9,14H,1-2,7,10H2,(H,21,22)(H,18,19,20).
What are the key properties of N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).