N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

C14H22N4O2 — CID 115770837

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCC(CO)C(C)NC(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C14H22N4O2/c1-10(9-19)11(2)17-13(20)12-5-3-8-18(12)14-15-6-4-7-16-14/h4,6-7,10-12,19H,3,5,8-9H2,1-2H3,(H,17,20)
InChIKeyQXXZMTVQHWLABS-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.58
Rot. Bonds5

About N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 115770837) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID115770837
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCC(CO)C(C)NC(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C14H22N4O2/c1-10(9-19)11(2)17-13(20)12-5-3-8-18(12)14-15-6-4-7-16-14/h4,6-7,10-12,19H,3,5,8-9H2,1-2H3,(H,17,20)
InChIKeyQXXZMTVQHWLABS-UHFFFAOYSA-N
XLogP0.58
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 54991238
methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 43623563
4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 61244571
N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103861720
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 96565850
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 138041639
N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83216321
N-ethyl-N-(2-hydroxyethyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 54878638
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103801069
(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 51935919
N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 63818386

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 115770837) is N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is CC(CO)C(C)NC(=O)C1CCCN1c1ncccn1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is QXXZMTVQHWLABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(9-19)11(2)17-13(20)12-5-3-8-18(12)14-15-6-4-7-16-14/h4,6-7,10-12,19H,3,5,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115770837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).