2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine

C9H9F3N4O — CID 15937883

IUPAC2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine
SMILESFC(F)(F)COCC1=NCc2nccnc2N1
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)5-17-4-7-15-3-6-8(16-7)14-2-1-13-6/h1-2H,3-5H2,(H,14,15,16)
InChIKeyIIPRXBYOQPRYRD-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.38
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine

2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine (PubChem CID 15937883) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine
PubChem CID15937883
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine
SMILESFC(F)(F)COCC1=NCc2nccnc2N1
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)5-17-4-7-15-3-6-8(16-7)14-2-1-13-6/h1-2H,3-5H2,(H,14,15,16)
InChIKeyIIPRXBYOQPRYRD-UHFFFAOYSA-N
XLogP1.38
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-{[3-(Morpholin-4-yl)propyl]amino}pyrazine-2-carbonitrile
CID 62671633
Pteridine, 3,4-dihydro-4-hydroxy-2-methyl-
CID 129929325
2-[(2,2,2-Trifluoroethoxy)methyl]-4(3H)-pteridinone
CID 135417224
3-Methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine
CID 167192805
2-[2-(Ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
CID 170259322
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-6-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176181650
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176181754
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 176181755
N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-6-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176205672
N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-6-(trifluoromethyl)pyrazin-2-amine
CID 176205673
N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176205701
N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 176205702

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine (CID 15937883) is 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine is FC(F)(F)COCC1=NCc2nccnc2N1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine?
The InChIKey is IIPRXBYOQPRYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)5-17-4-7-15-3-6-8(16-7)14-2-1-13-6/h1-2H,3-5H2,(H,14,15,16).
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine?
2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine has a molecular weight of 246.19 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydropteridine is sourced from PubChem (CID 15937883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).