2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C17H15F3N6O — CID 146234521

IUPAC2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1ncccc1CNc1nc(NC2COC2)nc2ncccc12
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)13-10(3-1-5-21-13)7-23-15-12-4-2-6-22-14(12)25-16(26-15)24-11-8-27-9-11/h1-6,11H,7-9H2,(H2,22,23,24,25,26)
InChIKeyFUWNPXPLHNGPKP-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.86
Rot. Bonds5

About 2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 146234521) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID146234521
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC Name2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1ncccc1CNc1nc(NC2COC2)nc2ncccc12
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)13-10(3-1-5-21-13)7-23-15-12-4-2-6-22-14(12)25-16(26-15)24-11-8-27-9-11/h1-6,11H,7-9H2,(H2,22,23,24,25,26)
InChIKeyFUWNPXPLHNGPKP-UHFFFAOYSA-N
XLogP2.86
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240090
2-[(3S)-3-methylmorpholin-4-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;hydrochloride
CID 171390138
1-(4-fluorophenyl)-3-[4-[[2-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]urea
CID 135240217
2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 146234482
2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 162608585
2-[4-(trifluoromethyl)pyrazol-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240573
2-(3-methylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 146234498
2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240191
2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240524
2-[(3-ethylazetidin-1-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 170371700
2-[3-(trifluoromethoxy)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimido[4,5-d]pyrimidin-4-amine
CID 146254279
2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240139

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 146234521) is 2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is FC(F)(F)c1ncccc1CNc1nc(NC2COC2)nc2ncccc12.
What is the InChIKey of 2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is FUWNPXPLHNGPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O/c18-17(19,20)13-10(3-1-5-21-13)7-23-15-12-4-2-6-22-14(12)25-16(26-15)24-11-8-27-9-11/h1-6,11H,7-9H2,(H2,22,23,24,25,26).
What are the key properties of 2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 376.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 146234521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).