5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine

C14H17N5 — CID 140639083

IUPAC5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
SMILESc1nc(N2CCNCC2)c2c(C3CC3)cncc2n1
InChIInChI=1S/C14H17N5/c1-2-10(1)11-7-16-8-12-13(11)14(18-9-17-12)19-5-3-15-4-6-19/h7-10,15H,1-6H2
InChIKeyCUCUQHQKNSMLEC-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.31
Rot. Bonds2

About 5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine

5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine (PubChem CID 140639083) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
PubChem CID140639083
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
SMILESc1nc(N2CCNCC2)c2c(C3CC3)cncc2n1
InChIInChI=1S/C14H17N5/c1-2-10(1)11-7-16-8-12-13(11)14(18-9-17-12)19-5-3-15-4-6-19/h7-10,15H,1-6H2
InChIKeyCUCUQHQKNSMLEC-UHFFFAOYSA-N
XLogP1.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine
CID 90100899
2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 90099564
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine
CID 90098558
5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 118225006
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(3-fluorocyclobutyl)pyridin-2-amine
CID 90099989
2-(3-bromo-4-pyridinyl)-5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 118224834
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine
CID 90098933
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2-fluorophenyl)pyridin-2-amine
CID 86716695
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine
CID 90099357
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-fluoropyridin-3-amine
CID 90099296
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-methylpyridin-3-amine
CID 90099833
5-cyclopropyl-2-[1-[4-(oxetan-3-yl)phenyl]-2H-pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 151178418

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine (CID 140639083) is 5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine is c1nc(N2CCNCC2)c2c(C3CC3)cncc2n1.
What is the InChIKey of 5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The InChIKey is CUCUQHQKNSMLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-10(1)11-7-16-8-12-13(11)14(18-9-17-12)19-5-3-15-4-6-19/h7-10,15H,1-6H2.
What are the key properties of 5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 140639083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).