4-amino-2-cyclohexyl-1H-pyrimidin-6-one

C10H15N3O — CID 135596636

IUPAC4-amino-2-cyclohexyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(C2CCCCC2)n1
InChIInChI=1S/C10H15N3O/c11-8-6-9(14)13-10(12-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,11,12,13,14)
InChIKeyUMEFTLSSOKWOPX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.40
Rot. Bonds1

About 4-amino-2-cyclohexyl-1H-pyrimidin-6-one

4-amino-2-cyclohexyl-1H-pyrimidin-6-one (PubChem CID 135596636) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-2-cyclohexyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-cyclohexyl-1H-pyrimidin-6-one
PubChem CID135596636
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-amino-2-cyclohexyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(C2CCCCC2)n1
InChIInChI=1S/C10H15N3O/c11-8-6-9(14)13-10(12-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,11,12,13,14)
InChIKeyUMEFTLSSOKWOPX-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclohexyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-cyclohexyl-1H-pyrimidin-6-one (CID 135596636) is 4-amino-2-cyclohexyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-cyclohexyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-cyclohexyl-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(C2CCCCC2)n1.
What is the InChIKey of 4-amino-2-cyclohexyl-1H-pyrimidin-6-one?
The InChIKey is UMEFTLSSOKWOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-8-6-9(14)13-10(12-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,11,12,13,14).
What are the key properties of 4-amino-2-cyclohexyl-1H-pyrimidin-6-one?
4-amino-2-cyclohexyl-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclohexyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135596636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).