N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide

C11H17N3O2 — CID 104629610

IUPACN-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1cncnc1
InChIInChI=1S/C11H17N3O2/c1-8(2)3-10(15)6-14-11(16)9-4-12-7-13-5-9/h4-5,7-8,10,15H,3,6H2,1-2H3,(H,14,16)
InChIKeyVAVFNOHTXCHCAG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.61
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide

N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide (PubChem CID 104629610) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide
PubChem CID104629610
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1cncnc1
InChIInChI=1S/C11H17N3O2/c1-8(2)3-10(15)6-14-11(16)9-4-12-7-13-5-9/h4-5,7-8,10,15H,3,6H2,1-2H3,(H,14,16)
InChIKeyVAVFNOHTXCHCAG-UHFFFAOYSA-N
XLogP0.61
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694
N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide
CID 107155312
6-(dimethylamino)-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103771018
methyl 2-iodo-3-(pyrimidine-5-carbonylamino)propanoate
CID 103493215
N-(1-hydroxy-4-methylpentan-2-yl)pyrimidine-5-carboxamide
CID 104627101
2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide
CID 104955122
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
N-(2-hydroxy-4-methylpentyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013000
2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 104844539
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide (CID 104629610) is N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide is CC(C)CC(O)CNC(=O)c1cncnc1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide?
The InChIKey is VAVFNOHTXCHCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)3-10(15)6-14-11(16)9-4-12-7-13-5-9/h4-5,7-8,10,15H,3,6H2,1-2H3,(H,14,16).
What are the key properties of N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide?
N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 104629610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).