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

C18H14Cl3N5 — CID 24930863

IUPAC2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESClc1ccc(-c2ncc3c(n2)CN(Cc2c(Cl)ncnc2Cl)CC3)cc1
InChIInChI=1S/C18H14Cl3N5/c19-13-3-1-11(2-4-13)18-22-7-12-5-6-26(9-15(12)25-18)8-14-16(20)23-10-24-17(14)21/h1-4,7,10H,5-6,8-9H2
InChIKeyQGUNJSQUCVRPES-UHFFFAOYSA-N
MW406.70 g/mol
LogP4.45
Rot. Bonds3

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

2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930863) has the molecular formula C18H14Cl3N5 and a molecular weight of 406.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930863
Molecular FormulaC18H14Cl3N5
Molecular Weight406.70 g/mol
Exact Mass405.03
IUPAC Name2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESClc1ccc(-c2ncc3c(n2)CN(Cc2c(Cl)ncnc2Cl)CC3)cc1
InChIInChI=1S/C18H14Cl3N5/c19-13-3-1-11(2-4-13)18-22-7-12-5-6-26(9-15(12)25-18)8-14-16(20)23-10-24-17(14)21/h1-4,7,10H,5-6,8-9H2
InChIKeyQGUNJSQUCVRPES-UHFFFAOYSA-N
XLogP4.45
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.70
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930870
2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930380
2-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930296
7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930865
2-(4-chlorophenyl)-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930464
2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930926
2-(4-chlorophenyl)-7-[(1-methylindol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930632
5-[[2-(4-aminophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4,6-dichloropyrimidin-2-amine
CID 24912891
2-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzene-1,3,5-triol
CID 24928479
2-(4-chlorophenyl)-6-[(2,3-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928227
6-[(2-chloro-6-methyl-3-pyridinyl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916590

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930863) is 2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Clc1ccc(-c2ncc3c(n2)CN(Cc2c(Cl)ncnc2Cl)CC3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is QGUNJSQUCVRPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3N5/c19-13-3-1-11(2-4-13)18-22-7-12-5-6-26(9-15(12)25-18)8-14-16(20)23-10-24-17(14)21/h1-4,7,10H,5-6,8-9H2.
What are the key properties of 2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 406.70 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).