N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C12H16F3N3O — CID 103150280

IUPACN-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(CCOCC(F)(F)F)nc2c1CCC2
InChIInChI=1S/C12H16F3N3O/c1-16-11-8-3-2-4-9(8)17-10(18-11)5-6-19-7-12(13,14)15/h2-7H2,1H3,(H,16,17,18)
InChIKeyGIAFDDNTLOYMNX-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.13
Rot. Bonds5

About N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 103150280) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID103150280
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(CCOCC(F)(F)F)nc2c1CCC2
InChIInChI=1S/C12H16F3N3O/c1-16-11-8-3-2-4-9(8)17-10(18-11)5-6-19-7-12(13,14)15/h2-7H2,1H3,(H,16,17,18)
InChIKeyGIAFDDNTLOYMNX-UHFFFAOYSA-N
XLogP2.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 103150280) is N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(CCOCC(F)(F)F)nc2c1CCC2.
What is the InChIKey of N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is GIAFDDNTLOYMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-16-11-8-3-2-4-9(8)17-10(18-11)5-6-19-7-12(13,14)15/h2-7H2,1H3,(H,16,17,18).
What are the key properties of N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 275.27 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 103150280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).