2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine

C15H11F3N6O — CID 67129970

IUPAC2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESFC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
InChIInChI=1S/C15H11F3N6O/c16-15(17,18)7-19-13-12-10(3-4-25-12)22-14(23-13)21-9-2-1-8-6-20-24-11(8)5-9/h1-6H,7H2,(H,20,24)(H2,19,21,22,23)
InChIKeyFMTZJHHPYOHWNQ-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.82
Rot. Bonds4

About 2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine

2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 67129970) has the molecular formula C15H11F3N6O and a molecular weight of 348.29 g/mol. Its IUPAC name is 2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine
PubChem CID67129970
Molecular FormulaC15H11F3N6O
Molecular Weight348.29 g/mol
Exact Mass348.09
IUPAC Name2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESFC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
InChIInChI=1S/C15H11F3N6O/c16-15(17,18)7-19-13-12-10(3-4-25-12)22-14(23-13)21-9-2-1-8-6-20-24-11(8)5-9/h1-6H,7H2,(H,20,24)(H2,19,21,22,23)
InChIKeyFMTZJHHPYOHWNQ-UHFFFAOYSA-N
XLogP3.82
TPSA91.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
CID 67129963
2-N-(1H-indazol-6-yl)-4-N-(piperidin-4-ylmethyl)furo[3,2-d]pyrimidine-2,4-diamine
CID 68751951
N-(2,2,2-trifluoroethyl)-1H-indazol-5-amine
CID 102049744
3,3-dimethyl-6-[[4-(propylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indol-2-one
CID 68752185
6-[[4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-indazole-3-carbonitrile
CID 68751535
4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
CID 67277592
4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 68702577
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine
CID 5333527
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
CID 11523723
6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine
CID 162677125
2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine
CID 67129995
7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
CID 68751546

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine (CID 67129970) is 2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine is FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12.
What is the InChIKey of 2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is FMTZJHHPYOHWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O/c16-15(17,18)7-19-13-12-10(3-4-25-12)22-14(23-13)21-9-2-1-8-6-20-24-11(8)5-9/h1-6H,7H2,(H,20,24)(H2,19,21,22,23).
What are the key properties of 2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine?
2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 348.29 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 67129970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).