2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H11BrF3N3 — CID 62689493

IUPAC2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(Br)cc2C(F)(F)F)nc2c1CCC2
InChIInChI=1S/C14H11BrF3N3/c15-7-4-5-8(10(6-7)14(16,17)18)13-20-11-3-1-2-9(11)12(19)21-13/h4-6H,1-3H2,(H2,19,20,21)
InChIKeyIHIYIPCKNPSCLM-UHFFFAOYSA-N
MW358.16 g/mol
LogP4.00
Rot. Bonds1

About 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62689493) has the molecular formula C14H11BrF3N3 and a molecular weight of 358.16 g/mol. Its IUPAC name is 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62689493
Molecular FormulaC14H11BrF3N3
Molecular Weight358.16 g/mol
Exact Mass357.01
IUPAC Name2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(Br)cc2C(F)(F)F)nc2c1CCC2
InChIInChI=1S/C14H11BrF3N3/c15-7-4-5-8(10(6-7)14(16,17)18)13-20-11-3-1-2-9(11)12(19)21-13/h4-6H,1-3H2,(H2,19,20,21)
InChIKeyIHIYIPCKNPSCLM-UHFFFAOYSA-N
XLogP4.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine
CID 63868448
4-[4-bromo-2-(trifluoromethyl)phenyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63867894
2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine
CID 63486444
2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740591
2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 105410395
2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 103083572
2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine
CID 63611310
2-amino-4-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635818
2-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107105157
2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114330940
2-(2-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79977157
(1R)-1-[3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899765

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62689493) is 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Nc1nc(-c2ccc(Br)cc2C(F)(F)F)nc2c1CCC2.
What is the InChIKey of 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is IHIYIPCKNPSCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N3/c15-7-4-5-8(10(6-7)14(16,17)18)13-20-11-3-1-2-9(11)12(19)21-13/h4-6H,1-3H2,(H2,19,20,21).
What are the key properties of 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 358.16 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62689493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).