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

C14H21N3O3 — CID 136985199

IUPAC2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)[nH]c(=O)c1C(=O)NC(C)(C)CCO
InChIInChI=1S/C14H21N3O3/c1-8-10(13(20)17-14(2,3)6-7-18)12(19)16-11(15-8)9-4-5-9/h9,18H,4-7H2,1-3H3,(H,17,20)(H,15,16,19)
InChIKeyLXTRKRGHRHVNJS-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.85
Rot. Bonds5

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

2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136985199) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136985199
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)[nH]c(=O)c1C(=O)NC(C)(C)CCO
InChIInChI=1S/C14H21N3O3/c1-8-10(13(20)17-14(2,3)6-7-18)12(19)16-11(15-8)9-4-5-9/h9,18H,4-7H2,1-3H3,(H,17,20)(H,15,16,19)
InChIKeyLXTRKRGHRHVNJS-UHFFFAOYSA-N
XLogP0.85
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136985199) is 2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C2CC2)[nH]c(=O)c1C(=O)NC(C)(C)CCO.
What is the InChIKey of 2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LXTRKRGHRHVNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-10(13(20)17-14(2,3)6-7-18)12(19)16-11(15-8)9-4-5-9/h9,18H,4-7H2,1-3H3,(H,17,20)(H,15,16,19).
What are the key properties of 2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136985199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).