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

C26H31N5O — CID 46346059

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccccc3C)C4)CC2)cc1
InChIInChI=1S/C26H31N5O/c1-20-5-3-4-6-21(20)18-29-12-11-25-22(19-29)17-27-26(28-25)31-15-13-30(14-16-31)23-7-9-24(32-2)10-8-23/h3-10,17H,11-16,18-19H2,1-2H3
InChIKeyAALOEJFJLYSMEM-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.68
Rot. Bonds5

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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 46346059) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID46346059
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccccc3C)C4)CC2)cc1
InChIInChI=1S/C26H31N5O/c1-20-5-3-4-6-21(20)18-29-12-11-25-22(19-29)17-27-26(28-25)31-15-13-30(14-16-31)23-7-9-24(32-2)10-8-23/h3-10,17H,11-16,18-19H2,1-2H3
InChIKeyAALOEJFJLYSMEM-UHFFFAOYSA-N
XLogP3.68
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 46346059) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccccc3C)C4)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is AALOEJFJLYSMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-20-5-3-4-6-21(20)18-29-12-11-25-22(19-29)17-27-26(28-25)31-15-13-30(14-16-31)23-7-9-24(32-2)10-8-23/h3-10,17H,11-16,18-19H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 429.57 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 46346059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).