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

C12H15F2N3 — CID 154580568

IUPAC4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC1(F)CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C12H15F2N3/c13-12(14)4-6-17(7-5-12)11-9-2-1-3-10(9)15-8-16-11/h8H,1-7H2
InChIKeyNLLXDQRMZATDTI-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.20
Rot. Bonds1

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

4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 154580568) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID154580568
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC1(F)CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C12H15F2N3/c13-12(14)4-6-17(7-5-12)11-9-2-1-3-10(9)15-8-16-11/h8H,1-7H2
InChIKeyNLLXDQRMZATDTI-UHFFFAOYSA-N
XLogP2.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine hydrochloride
CID 6603243
2-Methyl-5,6-cyclopentapyrimidine
CID 160264
26979-06-6
CID 232191
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 53192873
4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 72044451
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 53192848
N~2~-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N~1~,N~1~-dimethylethane-1,2-diamine
CID 53192863
4-(1-azepanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 53192865
1'-(6,7-dihydro-5{H}-cyclopenta[{d}]pyrimidin-4-yl)-1,4'-bipiperidine
CID 53192870
4-piperidino-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 53192872
4-{2-Methyl-5H,6H,7H-cyclopenta[D]pyrimidin-4-YL}thiomorpholine
CID 53192885
1-{2-Methyl-5H,6H,7H-cyclopenta[D]pyrimidin-4-YL}-4-(1-methylpiperidin-4-YL)piperazine
CID 71836317

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 154580568) is 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is FC1(F)CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is NLLXDQRMZATDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c13-12(14)4-6-17(7-5-12)11-9-2-1-3-10(9)15-8-16-11/h8H,1-7H2.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 239.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 154580568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).