4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

C17H22ClN5O — CID 150507333

IUPAC4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESClc1nc(N2CCOCC2)c2nc(CN3CCCCC3)ccc2n1
InChIInChI=1S/C17H22ClN5O/c18-17-20-14-5-4-13(12-22-6-2-1-3-7-22)19-15(14)16(21-17)23-8-10-24-11-9-23/h4-5H,1-3,6-12H2
InChIKeyHZCGJISLNRZXTJ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.50
Rot. Bonds3

About 4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 150507333) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID150507333
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESClc1nc(N2CCOCC2)c2nc(CN3CCCCC3)ccc2n1
InChIInChI=1S/C17H22ClN5O/c18-17-20-14-5-4-13(12-22-6-2-1-3-7-22)19-15(14)16(21-17)23-8-10-24-11-9-23/h4-5H,1-3,6-12H2
InChIKeyHZCGJISLNRZXTJ-UHFFFAOYSA-N
XLogP2.50
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-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-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 150507333) is 4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is Clc1nc(N2CCOCC2)c2nc(CN3CCCCC3)ccc2n1.
What is the InChIKey of 4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is HZCGJISLNRZXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c18-17-20-14-5-4-13(12-22-6-2-1-3-7-22)19-15(14)16(21-17)23-8-10-24-11-9-23/h4-5H,1-3,6-12H2.
What are the key properties of 4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 347.85 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 150507333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).