N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C11H16N4O3 — CID 54905155

IUPACN-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNC1CCCCC1NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c12-6-3-1-2-4-7(6)13-10(17)8-5-9(16)15-11(18)14-8/h5-7H,1-4,12H2,(H,13,17)(H2,14,15,16,18)
InChIKeyITBMUDQQZRQLHO-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.94
Rot. Bonds2

About N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 54905155) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID54905155
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNC1CCCCC1NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c12-6-3-1-2-4-7(6)13-10(17)8-5-9(16)15-11(18)14-8/h5-7H,1-4,12H2,(H,13,17)(H2,14,15,16,18)
InChIKeyITBMUDQQZRQLHO-UHFFFAOYSA-N
XLogP-0.94
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 54905155) is N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is NC1CCCCC1NC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is ITBMUDQQZRQLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-6-3-1-2-4-7(6)13-10(17)8-5-9(16)15-11(18)14-8/h5-7H,1-4,12H2,(H,13,17)(H2,14,15,16,18).
What are the key properties of N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.94, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 54905155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).