4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine

C19H20ClN5 — CID 165433565

IUPAC4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
SMILESCc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccncc2n1
InChIInChI=1S/C19H20ClN5/c1-14-22-18-12-21-7-6-17(18)19(23-14)25-10-8-24(9-11-25)13-15-2-4-16(20)5-3-15/h2-7,12H,8-11,13H2,1H3
InChIKeyQAHRGWQWKMHQQV-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.31
Rot. Bonds3

About 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine

4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine (PubChem CID 165433565) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
PubChem CID165433565
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
SMILESCc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccncc2n1
InChIInChI=1S/C19H20ClN5/c1-14-22-18-12-21-7-6-17(18)19(23-14)25-10-8-24(9-11-25)13-15-2-4-16(20)5-3-15/h2-7,12H,8-11,13H2,1H3
InChIKeyQAHRGWQWKMHQQV-UHFFFAOYSA-N
XLogP3.31
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine (CID 165433565) is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine is Cc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccncc2n1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine?
The InChIKey is QAHRGWQWKMHQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-14-22-18-12-21-7-6-17(18)19(23-14)25-10-8-24(9-11-25)13-15-2-4-16(20)5-3-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine?
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine has a molecular weight of 353.86 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 165433565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).