2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C18H25N7 — CID 163350407

IUPAC2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1cnn(CCN2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)n1
InChIInChI=1S/C18H25N7/c1-2-15-16(3-1)21-17(14-4-5-14)22-18(15)24-11-8-23(9-12-24)10-13-25-19-6-7-20-25/h6-7,14H,1-5,8-13H2
InChIKeyVITZDSPUBHXHHT-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.26
Rot. Bonds5

About 2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 163350407) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID163350407
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1cnn(CCN2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)n1
InChIInChI=1S/C18H25N7/c1-2-15-16(3-1)21-17(14-4-5-14)22-18(15)24-11-8-23(9-12-24)10-13-25-19-6-7-20-25/h6-7,14H,1-5,8-13H2
InChIKeyVITZDSPUBHXHHT-UHFFFAOYSA-N
XLogP1.26
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 53192899
1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549361
1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102549351
2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 25385316
4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 25378321
2-cyclopropyl-4-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 95861352
4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 53192919
4-(azepan-1-yl)-2-(1-methyl-5,6-didehydro-4H-pyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 157031982
4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166225634
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 62833677
2-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862870
2-cyclopentyl-4-(4-methoxypiperidin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56912677

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 163350407) is 2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1cnn(CCN2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is VITZDSPUBHXHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-2-15-16(3-1)21-17(14-4-5-14)22-18(15)24-11-8-23(9-12-24)10-13-25-19-6-7-20-25/h6-7,14H,1-5,8-13H2.
What are the key properties of 2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 339.45 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 163350407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).