N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide

C11H15N3O3 — CID 136599328

IUPACN-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1nc[nH]c(=O)c1O
InChIInChI=1S/C11H15N3O3/c15-9-8(12-6-13-11(9)17)10(16)14-7-4-2-1-3-5-7/h6-7,15H,1-5H2,(H,14,16)(H,12,13,17)
InChIKeyDYOSFNRZBHVXNH-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.54
Rot. Bonds2

About N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide

N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136599328) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136599328
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1nc[nH]c(=O)c1O
InChIInChI=1S/C11H15N3O3/c15-9-8(12-6-13-11(9)17)10(16)14-7-4-2-1-3-5-7/h6-7,15H,1-5H2,(H,14,16)(H,12,13,17)
InChIKeyDYOSFNRZBHVXNH-UHFFFAOYSA-N
XLogP0.54
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide (CID 136599328) is N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NC1CCCCC1)c1nc[nH]c(=O)c1O.
What is the InChIKey of N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is DYOSFNRZBHVXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9-8(12-6-13-11(9)17)10(16)14-7-4-2-1-3-5-7/h6-7,15H,1-5H2,(H,14,16)(H,12,13,17).
What are the key properties of N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136599328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).