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

C22H31N5 — CID 20960820

IUPAC6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCN1CCN(c2ncc3c(n2)CCN(Cc2ccccc2C)C3)CC1
InChIInChI=1S/C22H31N5/c1-3-9-25-11-13-27(14-12-25)22-23-15-20-17-26(10-8-21(20)24-22)16-19-7-5-4-6-18(19)2/h4-7,15H,3,8-14,16-17H2,1-2H3
InChIKeyWICVUQCQJZBDJO-UHFFFAOYSA-N
MW365.53 g/mol
LogP2.88
Rot. Bonds5

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

6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960820) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is 6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960820
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC Name6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCN1CCN(c2ncc3c(n2)CCN(Cc2ccccc2C)C3)CC1
InChIInChI=1S/C22H31N5/c1-3-9-25-11-13-27(14-12-25)22-23-15-20-17-26(10-8-21(20)24-22)16-19-7-5-4-6-18(19)2/h4-7,15H,3,8-14,16-17H2,1-2H3
InChIKeyWICVUQCQJZBDJO-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960813
6-[(2-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960723
2-(4-ethylpiperazin-1-yl)-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960721
6-[(3,4-diethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960837
6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960920
6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960962
6-[(2-ethoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960753
6-[(3-methylthiophen-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960927
6-[(2-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46346060
6-[(5-methylthiophen-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960917
6-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960662
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960913

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960820) is 6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCN1CCN(c2ncc3c(n2)CCN(Cc2ccccc2C)C3)CC1.
What is the InChIKey of 6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is WICVUQCQJZBDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-3-9-25-11-13-27(14-12-25)22-23-15-20-17-26(10-8-21(20)24-22)16-19-7-5-4-6-18(19)2/h4-7,15H,3,8-14,16-17H2,1-2H3.
What are the key properties of 6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 365.53 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).