4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H18ClN3 — CID 66525398

IUPAC4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1CCN(c2nc(Cl)c3c(n2)CCC3)CC1
InChIInChI=1S/C13H18ClN3/c1-9-5-7-17(8-6-9)13-15-11-4-2-3-10(11)12(14)16-13/h9H,2-8H2,1H3
InChIKeyFTNBZTBBGWILRM-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.86
Rot. Bonds1

About 4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 66525398) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID66525398
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1CCN(c2nc(Cl)c3c(n2)CCC3)CC1
InChIInChI=1S/C13H18ClN3/c1-9-5-7-17(8-6-9)13-15-11-4-2-3-10(11)12(14)16-13/h9H,2-8H2,1H3
InChIKeyFTNBZTBBGWILRM-UHFFFAOYSA-N
XLogP2.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 66525398) is 4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CC1CCN(c2nc(Cl)c3c(n2)CCC3)CC1.
What is the InChIKey of 4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is FTNBZTBBGWILRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-9-5-7-17(8-6-9)13-15-11-4-2-3-10(11)12(14)16-13/h9H,2-8H2,1H3.
What are the key properties of 4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 251.76 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 66525398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).