5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one

C11H16ClN3O — CID 114582793

IUPAC5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2CCCCC2)c1=O
InChIInChI=1S/C11H16ClN3O/c12-10-9(13)11(16)15(7-14-10)6-8-4-2-1-3-5-8/h7-8H,1-6,13H2
InChIKeyXMYYBYGSANVXCQ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.06
Rot. Bonds2

About 5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one

5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one (PubChem CID 114582793) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
PubChem CID114582793
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2CCCCC2)c1=O
InChIInChI=1S/C11H16ClN3O/c12-10-9(13)11(16)15(7-14-10)6-8-4-2-1-3-5-8/h7-8H,1-6,13H2
InChIKeyXMYYBYGSANVXCQ-UHFFFAOYSA-N
XLogP2.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one (CID 114582793) is 5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one is Nc1c(Cl)ncn(CC2CCCCC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one?
The InChIKey is XMYYBYGSANVXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-10-9(13)11(16)15(7-14-10)6-8-4-2-1-3-5-8/h7-8H,1-6,13H2.
What are the key properties of 5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one has a molecular weight of 241.72 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114582793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).