5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide

C14H22ClN3O2 — CID 111485074

IUPAC5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1nc(C)ncc1Cl
InChIInChI=1S/C14H22ClN3O2/c1-4-6-14(20,7-5-2)9-17-13(19)12-11(15)8-16-10(3)18-12/h8,20H,4-7,9H2,1-3H3,(H,17,19)
InChIKeyWJCPREDUPXBPOL-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.50
Rot. Bonds7

About 5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide

5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 111485074) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide
PubChem CID111485074
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1nc(C)ncc1Cl
InChIInChI=1S/C14H22ClN3O2/c1-4-6-14(20,7-5-2)9-17-13(19)12-11(15)8-16-10(3)18-12/h8,20H,4-7,9H2,1-3H3,(H,17,19)
InChIKeyWJCPREDUPXBPOL-UHFFFAOYSA-N
XLogP2.50
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methylpyrimidine-4-carbohydrazide;hydrochloride
CID 131160011
3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107170
6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid
CID 119186122
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 103825292
6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide
CID 109389045
N-(4-carbamoylphenyl)-5-chloro-2-methylpyrimidine-4-carboxamide
CID 136527349
N-butyl-5-chloro-2-methylsulfonylpyrimidine-4-carboxamide
CID 19155007
N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 111444730
3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide
CID 111578629
5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 103899838
N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide
CID 111444821
N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111444833

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide (CID 111485074) is 5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide is CCCC(O)(CCC)CNC(=O)c1nc(C)ncc1Cl.
What is the InChIKey of 5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is WJCPREDUPXBPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-6-14(20,7-5-2)9-17-13(19)12-11(15)8-16-10(3)18-12/h8,20H,4-7,9H2,1-3H3,(H,17,19).
What are the key properties of 5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide?
5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 111485074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).