4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H19N3 — CID 53192865

IUPAC4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1nc2c(c(N3CCCCCC3)n1)CCC2
InChIInChI=1S/C13H19N3/c1-2-4-9-16(8-3-1)13-11-6-5-7-12(11)14-10-15-13/h10H,1-9H2
InChIKeyUGVQCUMFXCTZTM-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.35
Rot. Bonds1

About 4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 53192865) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID53192865
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1nc2c(c(N3CCCCCC3)n1)CCC2
InChIInChI=1S/C13H19N3/c1-2-4-9-16(8-3-1)13-11-6-5-7-12(11)14-10-15-13/h10H,1-9H2
InChIKeyUGVQCUMFXCTZTM-UHFFFAOYSA-N
XLogP2.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 53192865) is 4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1nc2c(c(N3CCCCCC3)n1)CCC2.
What is the InChIKey of 4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is UGVQCUMFXCTZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-4-9-16(8-3-1)13-11-6-5-7-12(11)14-10-15-13/h10H,1-9H2.
What are the key properties of 4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 217.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 53192865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).