6-chloro-2-morpholin-4-ylpyrimidin-4-amine

C8H11ClN4O — CID 20561338

IUPAC6-chloro-2-morpholin-4-ylpyrimidin-4-amine
SMILESNc1cc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C8H11ClN4O/c9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyCAPWCRRKZOKFTE-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.55
Rot. Bonds1

About 6-chloro-2-morpholin-4-ylpyrimidin-4-amine

6-chloro-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 20561338) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 6-chloro-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID20561338
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name6-chloro-2-morpholin-4-ylpyrimidin-4-amine
SMILESNc1cc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C8H11ClN4O/c9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyCAPWCRRKZOKFTE-UHFFFAOYSA-N
XLogP0.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-morpholin-4-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-morpholin-4-ylpyrimidin-4-amine (CID 20561338) is 6-chloro-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-morpholin-4-ylpyrimidin-4-amine is Nc1cc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 6-chloro-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is CAPWCRRKZOKFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12).
What are the key properties of 6-chloro-2-morpholin-4-ylpyrimidin-4-amine?
6-chloro-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 214.66 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 20561338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).