2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide

C13H14ClF3N4O — CID 157029755

IUPAC2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESO=C(CNc1nc(Cl)nc2c1CCC2)NC1(C(F)(F)F)CC1
InChIInChI=1S/C13H14ClF3N4O/c14-11-19-8-3-1-2-7(8)10(20-11)18-6-9(22)21-12(4-5-12)13(15,16)17/h1-6H2,(H,21,22)(H,18,19,20)
InChIKeyPCGAUAMEHLORBJ-UHFFFAOYSA-N
MW334.73 g/mol
LogP2.24
Rot. Bonds4

About 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide

2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 157029755) has the molecular formula C13H14ClF3N4O and a molecular weight of 334.73 g/mol. Its IUPAC name is 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID157029755
Molecular FormulaC13H14ClF3N4O
Molecular Weight334.73 g/mol
Exact Mass334.08
IUPAC Name2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESO=C(CNc1nc(Cl)nc2c1CCC2)NC1(C(F)(F)F)CC1
InChIInChI=1S/C13H14ClF3N4O/c14-11-19-8-3-1-2-7(8)10(20-11)18-6-9(22)21-12(4-5-12)13(15,16)17/h1-6H2,(H,21,22)(H,18,19,20)
InChIKeyPCGAUAMEHLORBJ-UHFFFAOYSA-N
XLogP2.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide 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-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 157029755) is 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is O=C(CNc1nc(Cl)nc2c1CCC2)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is PCGAUAMEHLORBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N4O/c14-11-19-8-3-1-2-7(8)10(20-11)18-6-9(22)21-12(4-5-12)13(15,16)17/h1-6H2,(H,21,22)(H,18,19,20).
What are the key properties of 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 334.73 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 157029755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).