2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride

C10H16ClN3O — CID 54595072

IUPAC2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride
SMILESCl.NC1(c2nccc(=O)[nH]2)CCCCC1
InChIInChI=1S/C10H15N3O.ClH/c11-10(5-2-1-3-6-10)9-12-7-4-8(14)13-9;/h4,7H,1-3,5-6,11H2,(H,12,13,14);1H
InChIKeyJLJJBEZPDMQDGR-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.31
Rot. Bonds1

About 2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride

2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride (PubChem CID 54595072) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride
PubChem CID54595072
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride
SMILESCl.NC1(c2nccc(=O)[nH]2)CCCCC1
InChIInChI=1S/C10H15N3O.ClH/c11-10(5-2-1-3-6-10)9-12-7-4-8(14)13-9;/h4,7H,1-3,5-6,11H2,(H,12,13,14);1H
InChIKeyJLJJBEZPDMQDGR-UHFFFAOYSA-N
XLogP1.31
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride (CID 54595072) is 2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride is Cl.NC1(c2nccc(=O)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is JLJJBEZPDMQDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.ClH/c11-10(5-2-1-3-6-10)9-12-7-4-8(14)13-9;/h4,7H,1-3,5-6,11H2,(H,12,13,14);1H.
What are the key properties of 2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride?
2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 54595072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).