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

C12H16F2N4 — CID 170331494

IUPAC2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(N2CCC(F)(F)CC2)nc2c1CCC2
InChIInChI=1S/C12H16F2N4/c13-12(14)4-6-18(7-5-12)11-16-9-3-1-2-8(9)10(15)17-11/h1-7H2,(H2,15,16,17)
InChIKeyXAOFSGHTWWBWFB-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.78
Rot. Bonds1

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

2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 170331494) has the molecular formula C12H16F2N4 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID170331494
Molecular FormulaC12H16F2N4
Molecular Weight254.28 g/mol
Exact Mass254.13
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(N2CCC(F)(F)CC2)nc2c1CCC2
InChIInChI=1S/C12H16F2N4/c13-12(14)4-6-18(7-5-12)11-16-9-3-1-2-8(9)10(15)17-11/h1-7H2,(H2,15,16,17)
InChIKeyXAOFSGHTWWBWFB-UHFFFAOYSA-N
XLogP1.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 170331494) is 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Nc1nc(N2CCC(F)(F)CC2)nc2c1CCC2.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is XAOFSGHTWWBWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4/c13-12(14)4-6-18(7-5-12)11-16-9-3-1-2-8(9)10(15)17-11/h1-7H2,(H2,15,16,17).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 254.28 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 170331494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).