2-(4-aminocyclohexyl)-1H-pyrimidin-6-one

C10H15N3O — CID 82469023

IUPAC2-(4-aminocyclohexyl)-1H-pyrimidin-6-one
SMILESNC1CCC(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C10H15N3O/c11-8-3-1-7(2-4-8)10-12-6-5-9(14)13-10/h5-8H,1-4,11H2,(H,12,13,14)
InChIKeyUPBIRXLEQXSHEE-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.75
Rot. Bonds1

About 2-(4-aminocyclohexyl)-1H-pyrimidin-6-one

2-(4-aminocyclohexyl)-1H-pyrimidin-6-one (PubChem CID 82469023) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-1H-pyrimidin-6-one
PubChem CID82469023
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(4-aminocyclohexyl)-1H-pyrimidin-6-one
SMILESNC1CCC(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C10H15N3O/c11-8-3-1-7(2-4-8)10-12-6-5-9(14)13-10/h5-8H,1-4,11H2,(H,12,13,14)
InChIKeyUPBIRXLEQXSHEE-UHFFFAOYSA-N
XLogP0.75
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-aminocyclohexyl)-1H-pyrimidin-6-one (CID 82469023) is 2-(4-aminocyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-aminocyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-aminocyclohexyl)-1H-pyrimidin-6-one is NC1CCC(c2nccc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is UPBIRXLEQXSHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-8-3-1-7(2-4-8)10-12-6-5-9(14)13-10/h5-8H,1-4,11H2,(H,12,13,14).
What are the key properties of 2-(4-aminocyclohexyl)-1H-pyrimidin-6-one?
2-(4-aminocyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82469023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).