4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine

C11H10BrClN4O — CID 141391977

IUPAC4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine
SMILESClc1nc(N2CCOCC2)nc2c(Br)cncc12
InChIInChI=1S/C11H10BrClN4O/c12-8-6-14-5-7-9(8)15-11(16-10(7)13)17-1-3-18-4-2-17/h5-6H,1-4H2
InChIKeyWVECEZFNUVNWKW-UHFFFAOYSA-N
MW329.59 g/mol
LogP2.28
Rot. Bonds1

About 4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine

4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine (PubChem CID 141391977) has the molecular formula C11H10BrClN4O and a molecular weight of 329.59 g/mol. Its IUPAC name is 4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine
PubChem CID141391977
Molecular FormulaC11H10BrClN4O
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC Name4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine
SMILESClc1nc(N2CCOCC2)nc2c(Br)cncc12
InChIInChI=1S/C11H10BrClN4O/c12-8-6-14-5-7-9(8)15-11(16-10(7)13)17-1-3-18-4-2-17/h5-6H,1-4H2
InChIKeyWVECEZFNUVNWKW-UHFFFAOYSA-N
XLogP2.28
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.59
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine 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 4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine?
The IUPAC name of 4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine (CID 141391977) is 4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine is Clc1nc(N2CCOCC2)nc2c(Br)cncc12.
What is the InChIKey of 4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine?
The InChIKey is WVECEZFNUVNWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O/c12-8-6-14-5-7-9(8)15-11(16-10(7)13)17-1-3-18-4-2-17/h5-6H,1-4H2.
What are the key properties of 4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine?
4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine has a molecular weight of 329.59 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine is sourced from PubChem (CID 141391977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).