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

C14H14F3N3 — CID 71193083

IUPAC2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(C2=C(C(F)(F)F)CCC=C2)nc2c1CCC2
InChIInChI=1S/C14H14F3N3/c15-14(16,17)10-6-2-1-4-8(10)13-19-11-7-3-5-9(11)12(18)20-13/h1,4H,2-3,5-7H2,(H2,18,19,20)
InChIKeyLZXOSQPJVNTYNA-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.21
Rot. Bonds1

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

2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 71193083) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID71193083
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(C2=C(C(F)(F)F)CCC=C2)nc2c1CCC2
InChIInChI=1S/C14H14F3N3/c15-14(16,17)10-6-2-1-4-8(10)13-19-11-7-3-5-9(11)12(18)20-13/h1,4H,2-3,5-7H2,(H2,18,19,20)
InChIKeyLZXOSQPJVNTYNA-UHFFFAOYSA-N
XLogP3.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 230743
2-chloro-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
CID 10241226
6,7-Dihydro-2,4-dimethyl-5H-cyclopentapyrimidine
CID 13111292
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 15260856
2-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 23207871
2-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 53781841
2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190284
2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62203661
4-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 67801147
4,5-Dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline
CID 71220356
5-Ethenyl-4-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 89938654
2-chloro-7-(3-fluorobuta-1,3-dien-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 123388130

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 71193083) is 2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Nc1nc(C2=C(C(F)(F)F)CCC=C2)nc2c1CCC2.
What is the InChIKey of 2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is LZXOSQPJVNTYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)10-6-2-1-4-8(10)13-19-11-7-3-5-9(11)12(18)20-13/h1,4H,2-3,5-7H2,(H2,18,19,20).
What are the key properties of 2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 281.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 71193083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).