N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide

C11H17N3O2 — CID 104629427

IUPACN-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1cncnc1
InChIInChI=1S/C11H17N3O2/c1-8(2)10(3-4-15)14-11(16)9-5-12-7-13-6-9/h5-8,10,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyCFTCUBCOLGLPKB-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.61
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide

N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide (PubChem CID 104629427) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
PubChem CID104629427
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1cncnc1
InChIInChI=1S/C11H17N3O2/c1-8(2)10(3-4-15)14-11(16)9-5-12-7-13-6-9/h5-8,10,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyCFTCUBCOLGLPKB-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

N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922170
N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 106355183
N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
CID 103751046
(2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid
CID 107823506
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921462
N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
CID 104629797
N-(1-chloropropan-2-yl)pyrimidine-5-carboxamide
CID 102922755
N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide
CID 102922368
N-(1-hydroxy-4-methylpentan-2-yl)pyrimidine-5-carboxamide
CID 104627101
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide
CID 103782545

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide (CID 104629427) is N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide is CC(C)C(CCO)NC(=O)c1cncnc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide?
The InChIKey is CFTCUBCOLGLPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)10(3-4-15)14-11(16)9-5-12-7-13-6-9/h5-8,10,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)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-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 104629427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).