N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C11H15N3O3 — CID 1084850

IUPACN-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c15-9-6-8(13-11(17)14-9)10(16)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,16)(H2,13,14,15,17)
InChIKeyWCGRNRHZLKSKCU-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.13
Rot. Bonds2

About N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 1084850) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID1084850
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c15-9-6-8(13-11(17)14-9)10(16)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,16)(H2,13,14,15,17)
InChIKeyWCGRNRHZLKSKCU-UHFFFAOYSA-N
XLogP0.13
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 1084850) is N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NC1CCCCC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is WCGRNRHZLKSKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9-6-8(13-11(17)14-9)10(16)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,16)(H2,13,14,15,17).
What are the key properties of N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 1084850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).