4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine

C18H19N7 — CID 146074600

IUPAC4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESc1cc2c(N3CCN(c4ncnc5c4CCC5)CC3)ncnc2cn1
InChIInChI=1S/C18H19N7/c1-2-13-15(3-1)20-11-22-17(13)24-6-8-25(9-7-24)18-14-4-5-19-10-16(14)21-12-23-18/h4-5,10-12H,1-3,6-9H2
InChIKeyYCIBVUXHLINJGV-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.63
Rot. Bonds2

About 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine

4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 146074600) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID146074600
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESc1cc2c(N3CCN(c4ncnc5c4CCC5)CC3)ncnc2cn1
InChIInChI=1S/C18H19N7/c1-2-13-15(3-1)20-11-22-17(13)24-6-8-25(9-7-24)18-14-4-5-19-10-16(14)21-12-23-18/h4-5,10-12H,1-3,6-9H2
InChIKeyYCIBVUXHLINJGV-UHFFFAOYSA-N
XLogP1.63
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

4-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrido[3,4-d]pyrimidine
CID 165433317
4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155980197
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163348985
2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)-1,3-benzothiazole
CID 155975559
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917
2-[2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915476
4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one
CID 171326741
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126945134
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-amine;dihydrochloride
CID 171689379
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 154882881

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine (CID 146074600) is 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine is c1cc2c(N3CCN(c4ncnc5c4CCC5)CC3)ncnc2cn1.
What is the InChIKey of 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is YCIBVUXHLINJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-2-13-15(3-1)20-11-22-17(13)24-6-8-25(9-7-24)18-14-4-5-19-10-16(14)21-12-23-18/h4-5,10-12H,1-3,6-9H2.
What are the key properties of 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 333.40 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 146074600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).