2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine

C13H17N3 — CID 59474260

IUPAC2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(N3CCCCC3)n1)CC=C2
InChIInChI=1S/C13H17N3/c1-10-14-12-7-5-6-11(12)13(15-10)16-8-3-2-4-9-16/h5,7H,2-4,6,8-9H2,1H3
InChIKeyASQQRTLALFACET-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.34
Rot. Bonds1

About 2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine

2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine (PubChem CID 59474260) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine
PubChem CID59474260
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(N3CCCCC3)n1)CC=C2
InChIInChI=1S/C13H17N3/c1-10-14-12-7-5-6-11(12)13(15-10)16-8-3-2-4-9-16/h5,7H,2-4,6,8-9H2,1H3
InChIKeyASQQRTLALFACET-UHFFFAOYSA-N
XLogP2.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine (CID 59474260) is 2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine is Cc1nc2c(c(N3CCCCC3)n1)CC=C2.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine?
The InChIKey is ASQQRTLALFACET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-14-12-7-5-6-11(12)13(15-10)16-8-3-2-4-9-16/h5,7H,2-4,6,8-9H2,1H3.
What are the key properties of 2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine?
2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine has a molecular weight of 215.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-yl-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 59474260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).