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

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Related Compounds

4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 58404995
4-[2-chloro-6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86623510
4-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)morpholine
CID 168922552
(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine
CID 144572815
N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine
CID 88763602
4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 90038229
4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol
CID 57493976
2-chloro-4-morpholin-4-ylquinazolin-7-ol
CID 137308981
(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol
CID 71299202
2-[1-[[2-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
CID 53379133
4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 110172246

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).