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

C12H14ClF2N3 — CID 170331753

IUPAC2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC1(F)CCN(c2nc(Cl)nc3c2CCC3)CC1
InChIInChI=1S/C12H14ClF2N3/c13-11-16-9-3-1-2-8(9)10(17-11)18-6-4-12(14,15)5-7-18/h1-7H2
InChIKeyVVIQNTWUIQNRIP-UHFFFAOYSA-N
MW273.71 g/mol
LogP2.85
Rot. Bonds1

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

2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 170331753) has the molecular formula C12H14ClF2N3 and a molecular weight of 273.71 g/mol. Its IUPAC name is 2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID170331753
Molecular FormulaC12H14ClF2N3
Molecular Weight273.71 g/mol
Exact Mass273.08
IUPAC Name2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC1(F)CCN(c2nc(Cl)nc3c2CCC3)CC1
InChIInChI=1S/C12H14ClF2N3/c13-11-16-9-3-1-2-8(9)10(17-11)18-6-4-12(14,15)5-7-18/h1-7H2
InChIKeyVVIQNTWUIQNRIP-UHFFFAOYSA-N
XLogP2.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 170331753) is 2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is FC1(F)CCN(c2nc(Cl)nc3c2CCC3)CC1.
What is the InChIKey of 2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is VVIQNTWUIQNRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N3/c13-11-16-9-3-1-2-8(9)10(17-11)18-6-4-12(14,15)5-7-18/h1-7H2.
What are the key properties of 2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 273.71 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 170331753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).