6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine

C26H27N5O2 — CID 110171978

IUPAC6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine
SMILESCOc1ccc(-c2ccc3ncnc(N4CCN(c5ccc(C)cc5)CC4)c3n2)cc1OC
InChIInChI=1S/C26H27N5O2/c1-18-4-7-20(8-5-18)30-12-14-31(15-13-30)26-25-22(27-17-28-26)10-9-21(29-25)19-6-11-23(32-2)24(16-19)33-3/h4-11,16-17H,12-15H2,1-3H3
InChIKeyWQLYPXWFKLJEMB-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.34
Rot. Bonds5

About 6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine

6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine (PubChem CID 110171978) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine
PubChem CID110171978
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine
SMILESCOc1ccc(-c2ccc3ncnc(N4CCN(c5ccc(C)cc5)CC4)c3n2)cc1OC
InChIInChI=1S/C26H27N5O2/c1-18-4-7-20(8-5-18)30-12-14-31(15-13-30)26-25-22(27-17-28-26)10-9-21(29-25)19-6-11-23(32-2)24(16-19)33-3/h4-11,16-17H,12-15H2,1-3H3
InChIKeyWQLYPXWFKLJEMB-UHFFFAOYSA-N
XLogP4.34
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
CID 170641373
7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine
CID 20805928
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 68920782
N-(3-chlorophenyl)-4-[6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]pyrido[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 59647854
1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 59647867
4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 11518930
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidine
CID 56966668
4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 68843943
6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine
CID 68916896
2-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 59647833
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-cyclohexylpiperazine-1-carboxamide
CID 68912399
3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808634

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine (CID 110171978) is 6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine is COc1ccc(-c2ccc3ncnc(N4CCN(c5ccc(C)cc5)CC4)c3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine?
The InChIKey is WQLYPXWFKLJEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-4-7-20(8-5-18)30-12-14-31(15-13-30)26-25-22(27-17-28-26)10-9-21(29-25)19-6-11-23(32-2)24(16-19)33-3/h4-11,16-17H,12-15H2,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine?
6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine has a molecular weight of 441.54 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 110171978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).