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

C10H11F3N2O — CID 126954711

IUPAC2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(OCC(F)(F)F)n1)CCC2
InChIInChI=1S/C10H11F3N2O/c1-6-14-8-4-2-3-7(8)9(15-6)16-5-10(11,12)13/h2-5H2,1H3
InChIKeyPEVMBNJOPFOMAE-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.21
Rot. Bonds2

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

2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 126954711) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID126954711
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(OCC(F)(F)F)n1)CCC2
InChIInChI=1S/C10H11F3N2O/c1-6-14-8-4-2-3-7(8)9(15-6)16-5-10(11,12)13/h2-5H2,1H3
InChIKeyPEVMBNJOPFOMAE-UHFFFAOYSA-N
XLogP2.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 126954711) is 2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc2c(c(OCC(F)(F)F)n1)CCC2.
What is the InChIKey of 2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is PEVMBNJOPFOMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6-14-8-4-2-3-7(8)9(15-6)16-5-10(11,12)13/h2-5H2,1H3.
What are the key properties of 2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 232.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,2-trifluoroethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 126954711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).