6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H27N7O — CID 20960920

IUPAC6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccccc1CN1CCc2nc(N3CCN(c4ncccn4)CC3)ncc2C1
InChIInChI=1S/C23H27N7O/c1-31-21-6-3-2-5-18(21)16-28-10-7-20-19(17-28)15-26-23(27-20)30-13-11-29(12-14-30)22-24-8-4-9-25-22/h2-6,8-9,15H,7,10-14,16-17H2,1H3
InChIKeyVOUMDXQBYOSXRL-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.16
Rot. Bonds5

About 6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960920) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960920
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccccc1CN1CCc2nc(N3CCN(c4ncccn4)CC3)ncc2C1
InChIInChI=1S/C23H27N7O/c1-31-21-6-3-2-5-18(21)16-28-10-7-20-19(17-28)15-26-23(27-20)30-13-11-29(12-14-30)22-24-8-4-9-25-22/h2-6,8-9,15H,7,10-14,16-17H2,1H3
InChIKeyVOUMDXQBYOSXRL-UHFFFAOYSA-N
XLogP2.16
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethylpiperazin-1-yl)-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960721
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960913
6-[(2-ethoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960753
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960863
6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride
CID 146071393
6-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46346060
6-[(2,4-dimethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960934
6-[(5-methylthiophen-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960917
2-(4-methylpiperazin-1-yl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960687
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960952
2-(4-methylpiperazin-1-yl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;dihydrochloride
CID 146059840
6-[(3-methylthiophen-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960927

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960920) is 6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccccc1CN1CCc2nc(N3CCN(c4ncccn4)CC3)ncc2C1.
What is the InChIKey of 6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VOUMDXQBYOSXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-31-21-6-3-2-5-18(21)16-28-10-7-20-19(17-28)15-26-23(27-20)30-13-11-29(12-14-30)22-24-8-4-9-25-22/h2-6,8-9,15H,7,10-14,16-17H2,1H3.
What are the key properties of 6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 417.52 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).