4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C10H12F2N4 — CID 67801147

IUPAC4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CC(F)(F)C3)n1)CCC2
InChIInChI=1S/C10H12F2N4/c11-10(12)4-16(5-10)8-6-2-1-3-7(6)14-9(13)15-8/h1-5H2,(H2,13,14,15)
InChIKeyCIMUCKRCWRXJIX-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.00
Rot. Bonds1

About 4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 67801147) has the molecular formula C10H12F2N4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID67801147
Molecular FormulaC10H12F2N4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CC(F)(F)C3)n1)CCC2
InChIInChI=1S/C10H12F2N4/c11-10(12)4-16(5-10)8-6-2-1-3-7(6)14-9(13)15-8/h1-5H2,(H2,13,14,15)
InChIKeyCIMUCKRCWRXJIX-UHFFFAOYSA-N
XLogP1.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 67801147) is 4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is Nc1nc2c(c(N3CC(F)(F)C3)n1)CCC2.
What is the InChIKey of 4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is CIMUCKRCWRXJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4/c11-10(12)4-16(5-10)8-6-2-1-3-7(6)14-9(13)15-8/h1-5H2,(H2,13,14,15).
What are the key properties of 4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 226.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 67801147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).