2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid

C11H13F3N4O2 — CID 82192838

IUPAC2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid
SMILESCN1CCc2nc(NCC(=O)O)nc(C(F)(F)F)c2C1
InChIInChI=1S/C11H13F3N4O2/c1-18-3-2-7-6(5-18)9(11(12,13)14)17-10(16-7)15-4-8(19)20/h2-5H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyGOODJLFEWJOGSR-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.98
Rot. Bonds3

About 2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid

2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid (PubChem CID 82192838) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid
PubChem CID82192838
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid
SMILESCN1CCc2nc(NCC(=O)O)nc(C(F)(F)F)c2C1
InChIInChI=1S/C11H13F3N4O2/c1-18-3-2-7-6(5-18)9(11(12,13)14)17-10(16-7)15-4-8(19)20/h2-5H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyGOODJLFEWJOGSR-UHFFFAOYSA-N
XLogP0.98
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid with MolForge

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Related Compounds

Ethyl {4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazin-1-yl}acetate
CID 50964622
4-[4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxylic acid
CID 56869921
4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 118744107
2,4-Dichloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine 2,2,2-trifluoroacetate
CID 44118288
4-Prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 138635957
4-Cyclopropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 138636044
4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 140626446
Tert-butyl 2-[3-[2,6-diamino-5-(trifluoromethyl)pyrimidin-4-yl]propylamino]acetate
CID 150097753
4-Chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 175873513
2-Amino-6-ethoxycarbonyl-5,6,7,8-tetrahydro-4-(trifluoromethyl)pyrido-[4,3-D]-pyrimidine
CID 57361087
4-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine
CID 57365189
2-Methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 57374629

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid (CID 82192838) is 2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid is CN1CCc2nc(NCC(=O)O)nc(C(F)(F)F)c2C1.
What is the InChIKey of 2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid?
The InChIKey is GOODJLFEWJOGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-18-3-2-7-6(5-18)9(11(12,13)14)17-10(16-7)15-4-8(19)20/h2-5H2,1H3,(H,19,20)(H,15,16,17).
What are the key properties of 2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid?
2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid has a molecular weight of 290.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 82192838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).