2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C9H9F3N2 — CID 15260856

IUPAC2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(C(F)(F)F)n1)CCC2
InChIInChI=1S/C9H9F3N2/c1-5-13-7-4-2-3-6(7)8(14-5)9(10,11)12/h2-4H2,1H3
InChIKeyBRVNKGNSSAORSA-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.29
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 15260856) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID15260856
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(C(F)(F)F)n1)CCC2
InChIInChI=1S/C9H9F3N2/c1-5-13-7-4-2-3-6(7)8(14-5)9(10,11)12/h2-4H2,1H3
InChIKeyBRVNKGNSSAORSA-UHFFFAOYSA-N
XLogP2.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 15260856) is 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc2c(c(C(F)(F)F)n1)CCC2.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is BRVNKGNSSAORSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-5-13-7-4-2-3-6(7)8(14-5)9(10,11)12/h2-4H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 202.18 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 15260856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).