2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine

C13H18F2N4 — CID 155039166

IUPAC2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(N2CCC2)nc2c1CCC2(F)F
InChIInChI=1S/C13H18F2N4/c1-2-6-16-11-9-4-5-13(14,15)10(9)17-12(18-11)19-7-3-8-19/h2-8H2,1H3,(H,16,17,18)
InChIKeyYPPXJLTWNWNDDQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.55
Rot. Bonds4

About 2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine

2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine (PubChem CID 155039166) has the molecular formula C13H18F2N4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine
PubChem CID155039166
Molecular FormulaC13H18F2N4
Molecular Weight268.31 g/mol
Exact Mass268.15
IUPAC Name2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(N2CCC2)nc2c1CCC2(F)F
InChIInChI=1S/C13H18F2N4/c1-2-6-16-11-9-4-5-13(14,15)10(9)17-12(18-11)19-7-3-8-19/h2-8H2,1H3,(H,16,17,18)
InChIKeyYPPXJLTWNWNDDQ-UHFFFAOYSA-N
XLogP2.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-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 2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine (CID 155039166) is 2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine is CCCNc1nc(N2CCC2)nc2c1CCC2(F)F.
What is the InChIKey of 2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine?
The InChIKey is YPPXJLTWNWNDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4/c1-2-6-16-11-9-4-5-13(14,15)10(9)17-12(18-11)19-7-3-8-19/h2-8H2,1H3,(H,16,17,18).
What are the key properties of 2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine?
2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine has a molecular weight of 268.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-7,7-difluoro-N-propyl-5,6-dihydrocyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 155039166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).