1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine

C9H10F3N3 — CID 69173603

IUPAC1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine
SMILESCN1C=NCC2=C1NC(C(F)(F)F)C=C2
InChIInChI=1S/C9H10F3N3/c1-15-5-13-4-6-2-3-7(9(10,11)12)14-8(6)15/h2-3,5,7,14H,4H2,1H3
InChIKeyVYXLSNPLLABCEG-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.26
Rot. Bonds

About 1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine

1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine (PubChem CID 69173603) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine
PubChem CID69173603
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine
SMILESCN1C=NCC2=C1NC(C(F)(F)F)C=C2
InChIInChI=1S/C9H10F3N3/c1-15-5-13-4-6-2-3-7(9(10,11)12)14-8(6)15/h2-3,5,7,14H,4H2,1H3
InChIKeyVYXLSNPLLABCEG-UHFFFAOYSA-N
XLogP1.26
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine (CID 69173603) is 1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine is CN1C=NCC2=C1NC(C(F)(F)F)C=C2.
What is the InChIKey of 1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine?
The InChIKey is VYXLSNPLLABCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-15-5-13-4-6-2-3-7(9(10,11)12)14-8(6)15/h2-3,5,7,14H,4H2,1H3.
What are the key properties of 1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine?
1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine has a molecular weight of 217.19 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 69173603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).