2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid

C11H12F3N3O2 — CID 79258398

IUPAC2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)c1ncnc2c1CCC2
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)5-17(4-9(18)19)10-7-2-1-3-8(7)15-6-16-10/h6H,1-5H2,(H,18,19)
InChIKeyYQKDECFJFWWKOL-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.42
Rot. Bonds4

About 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid

2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258398) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258398
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)c1ncnc2c1CCC2
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)5-17(4-9(18)19)10-7-2-1-3-8(7)15-6-16-10/h6H,1-5H2,(H,18,19)
InChIKeyYQKDECFJFWWKOL-UHFFFAOYSA-N
XLogP1.42
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 53192852
4-[ethyl(methyl)amino]-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 118743557
2-[4-(dimethylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 118744365
7-(cyclopentylmethyl)-N,N-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine;2,2,2-trifluoroacetic acid
CID 118745450
1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-4,4-difluoropiperidine
CID 154580568
2-[[2-[C-[(1E)-2-fluorobuta-1,3-dienyl]-N-methylcarbonimidoyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetic acid
CID 157032140
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710533
2-[(6-Propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258317
2-[(6-Propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258562
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798987
2-[5,6,7,8-Tetrahydroquinazolin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 80234583
2-[6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 80234958

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258398) is 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)c1ncnc2c1CCC2.
What is the InChIKey of 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is YQKDECFJFWWKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)5-17(4-9(18)19)10-7-2-1-3-8(7)15-6-16-10/h6H,1-5H2,(H,18,19).
What are the key properties of 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 275.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).