N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide

C10H15N3O2 — CID 102922170

IUPACN-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
SMILESCC(C)C(CO)NC(=O)c1cncnc1
InChIInChI=1S/C10H15N3O2/c1-7(2)9(5-14)13-10(15)8-3-11-6-12-4-8/h3-4,6-7,9,14H,5H2,1-2H3,(H,13,15)
InChIKeyWFJDCXZQCMDWMI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.22
Rot. Bonds4

About N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide (PubChem CID 102922170) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
PubChem CID102922170
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
SMILESCC(C)C(CO)NC(=O)c1cncnc1
InChIInChI=1S/C10H15N3O2/c1-7(2)9(5-14)13-10(15)8-3-11-6-12-4-8/h3-4,6-7,9,14H,5H2,1-2H3,(H,13,15)
InChIKeyWFJDCXZQCMDWMI-UHFFFAOYSA-N
XLogP0.22
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 104629427
N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 106355183
N-(1-hydroxy-4-methylpentan-2-yl)pyrimidine-5-carboxamide
CID 104627101
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 79252748
(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921462
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide
CID 104629795
N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide
CID 102922368
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
N-(1-chloropropan-2-yl)pyrimidine-5-carboxamide
CID 102922755
5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
CID 58833168
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide (CID 102922170) is N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide is CC(C)C(CO)NC(=O)c1cncnc1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is WFJDCXZQCMDWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)9(5-14)13-10(15)8-3-11-6-12-4-8/h3-4,6-7,9,14H,5H2,1-2H3,(H,13,15).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102922170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).