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

C13H19N3O4 — CID 136870584

IUPAC2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCC(CO)NC(=O)c1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C13H19N3O4/c1-7-10(12(18)15-9(5-17)6-20-2)13(19)16-11(14-7)8-3-4-8/h8-9,17H,3-6H2,1-2H3,(H,15,18)(H,14,16,19)
InChIKeyGROCFGRTVZHTGA-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.31
Rot. Bonds6

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

2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136870584) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136870584
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCC(CO)NC(=O)c1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C13H19N3O4/c1-7-10(12(18)15-9(5-17)6-20-2)13(19)16-11(14-7)8-3-4-8/h8-9,17H,3-6H2,1-2H3,(H,15,18)(H,14,16,19)
InChIKeyGROCFGRTVZHTGA-UHFFFAOYSA-N
XLogP-0.31
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136870584) is 2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is COCC(CO)NC(=O)c1c(C)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GROCFGRTVZHTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-7-10(12(18)15-9(5-17)6-20-2)13(19)16-11(14-7)8-3-4-8/h8-9,17H,3-6H2,1-2H3,(H,15,18)(H,14,16,19).
What are the key properties of 2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 281.31 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136870584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).