4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine

C11H16ClN3O2 — CID 80752670

IUPAC4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine
SMILESCOc1ncc(Cl)c(OC2CCC(N)CC2)n1
InChIInChI=1S/C11H16ClN3O2/c1-16-11-14-6-9(12)10(15-11)17-8-4-2-7(13)3-5-8/h6-8H,2-5,13H2,1H3
InChIKeyKORNSGISTHUHCV-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.79
Rot. Bonds3

About 4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine

4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine (PubChem CID 80752670) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine
PubChem CID80752670
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine
SMILESCOc1ncc(Cl)c(OC2CCC(N)CC2)n1
InChIInChI=1S/C11H16ClN3O2/c1-16-11-14-6-9(12)10(15-11)17-8-4-2-7(13)3-5-8/h6-8H,2-5,13H2,1H3
InChIKeyKORNSGISTHUHCV-UHFFFAOYSA-N
XLogP1.79
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine?
The IUPAC name of 4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine (CID 80752670) is 4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine?
The canonical SMILES for 4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine is COc1ncc(Cl)c(OC2CCC(N)CC2)n1.
What is the InChIKey of 4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine?
The InChIKey is KORNSGISTHUHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-16-11-14-6-9(12)10(15-11)17-8-4-2-7(13)3-5-8/h6-8H,2-5,13H2,1H3.
What are the key properties of 4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine?
4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine has a molecular weight of 257.72 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 80752670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).