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

C11H16ClN3O2 — CID 114582631

IUPAC5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one
SMILESCOC1CCCC(n2cnc(Cl)c(N)c2=O)C1
InChIInChI=1S/C11H16ClN3O2/c1-17-8-4-2-3-7(5-8)15-6-14-10(12)9(13)11(15)16/h6-8H,2-5,13H2,1H3
InChIKeyUKYRZQGUZYZGFG-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.61
Rot. Bonds2

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

5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one (PubChem CID 114582631) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one
PubChem CID114582631
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one
SMILESCOC1CCCC(n2cnc(Cl)c(N)c2=O)C1
InChIInChI=1S/C11H16ClN3O2/c1-17-8-4-2-3-7(5-8)15-6-14-10(12)9(13)11(15)16/h6-8H,2-5,13H2,1H3
InChIKeyUKYRZQGUZYZGFG-UHFFFAOYSA-N
XLogP1.61
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one (CID 114582631) is 5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one is COC1CCCC(n2cnc(Cl)c(N)c2=O)C1.
What is the InChIKey of 5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one?
The InChIKey is UKYRZQGUZYZGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-17-8-4-2-3-7(5-8)15-6-14-10(12)9(13)11(15)16/h6-8H,2-5,13H2,1H3.
What are the key properties of 5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one?
5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one has a molecular weight of 257.72 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(3-methoxycyclohexyl)pyrimidin-4-one is sourced from PubChem (CID 114582631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).