4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine

C12H12BrClN4O — CID 90038229

IUPAC4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESClc1nc(N2CCOCC2)c2ncc(CBr)cc2n1
InChIInChI=1S/C12H12BrClN4O/c13-6-8-5-9-10(15-7-8)11(17-12(14)16-9)18-1-3-19-4-2-18/h5,7H,1-4,6H2
InChIKeyPGZHAYIQRHNMPA-UHFFFAOYSA-N
MW343.61 g/mol
LogP2.41
Rot. Bonds2

About 4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 90038229) has the molecular formula C12H12BrClN4O and a molecular weight of 343.61 g/mol. Its IUPAC name is 4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID90038229
Molecular FormulaC12H12BrClN4O
Molecular Weight343.61 g/mol
Exact Mass341.99
IUPAC Name4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESClc1nc(N2CCOCC2)c2ncc(CBr)cc2n1
InChIInChI=1S/C12H12BrClN4O/c13-6-8-5-9-10(15-7-8)11(17-12(14)16-9)18-1-3-19-4-2-18/h5,7H,1-4,6H2
InChIKeyPGZHAYIQRHNMPA-UHFFFAOYSA-N
XLogP2.41
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 90038229) is 4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine is Clc1nc(N2CCOCC2)c2ncc(CBr)cc2n1.
What is the InChIKey of 4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is PGZHAYIQRHNMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O/c13-6-8-5-9-10(15-7-8)11(17-12(14)16-9)18-1-3-19-4-2-18/h5,7H,1-4,6H2.
What are the key properties of 4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 343.61 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 90038229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).