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

C12H16F2N4 — CID 170331660

IUPAC4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CCC(F)(F)CC3)n1)CCC2
InChIInChI=1S/C12H16F2N4/c13-12(14)4-6-18(7-5-12)10-8-2-1-3-9(8)16-11(15)17-10/h1-7H2,(H2,15,16,17)
InChIKeyIMXLUDRBVXNHAZ-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.78
Rot. Bonds1

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

4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 170331660) has the molecular formula C12H16F2N4 and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID170331660
Molecular FormulaC12H16F2N4
Molecular Weight254.28 g/mol
Exact Mass254.13
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CCC(F)(F)CC3)n1)CCC2
InChIInChI=1S/C12H16F2N4/c13-12(14)4-6-18(7-5-12)10-8-2-1-3-9(8)16-11(15)17-10/h1-7H2,(H2,15,16,17)
InChIKeyIMXLUDRBVXNHAZ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 170331660) is 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is Nc1nc2c(c(N3CCC(F)(F)CC3)n1)CCC2.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is IMXLUDRBVXNHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4/c13-12(14)4-6-18(7-5-12)10-8-2-1-3-9(8)16-11(15)17-10/h1-7H2,(H2,15,16,17).
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-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 4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 170331660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).