2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C15H23N3O3 — CID 136757372

IUPAC2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C15H23N3O3/c1-4-15(3,7-8-19)18-14(21)11-9(2)16-12(10-5-6-10)17-13(11)20/h10,19H,4-8H2,1-3H3,(H,18,21)(H,16,17,20)
InChIKeyABBXLFRQIMSLDT-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.24
Rot. Bonds6

About 2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136757372) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136757372
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C15H23N3O3/c1-4-15(3,7-8-19)18-14(21)11-9(2)16-12(10-5-6-10)17-13(11)20/h10,19H,4-8H2,1-3H3,(H,18,21)(H,16,17,20)
InChIKeyABBXLFRQIMSLDT-UHFFFAOYSA-N
XLogP1.24
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136757372) is 2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CCC(C)(CCO)NC(=O)c1c(C)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ABBXLFRQIMSLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-15(3,7-8-19)18-14(21)11-9(2)16-12(10-5-6-10)17-13(11)20/h10,19H,4-8H2,1-3H3,(H,18,21)(H,16,17,20).
What are the key properties of 2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136757372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).