2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine

C14H19N3 — CID 59474263

IUPAC2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine
SMILESCCc1nc2c(c(N3CCCCC3)n1)C=CC2
InChIInChI=1S/C14H19N3/c1-2-13-15-12-8-6-7-11(12)14(16-13)17-9-4-3-5-10-17/h6-7H,2-5,8-10H2,1H3
InChIKeyQHCOEOIZADQLPK-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.60
Rot. Bonds2

About 2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine

2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine (PubChem CID 59474263) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine
PubChem CID59474263
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine
SMILESCCc1nc2c(c(N3CCCCC3)n1)C=CC2
InChIInChI=1S/C14H19N3/c1-2-13-15-12-8-6-7-11(12)14(16-13)17-9-4-3-5-10-17/h6-7H,2-5,8-10H2,1H3
InChIKeyQHCOEOIZADQLPK-UHFFFAOYSA-N
XLogP2.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine (CID 59474263) is 2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine is CCc1nc2c(c(N3CCCCC3)n1)C=CC2.
What is the InChIKey of 2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine?
The InChIKey is QHCOEOIZADQLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-13-15-12-8-6-7-11(12)14(16-13)17-9-4-3-5-10-17/h6-7H,2-5,8-10H2,1H3.
What are the key properties of 2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine?
2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine has a molecular weight of 229.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-piperidin-1-yl-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 59474263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).