2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol

C18H17F2N5O2 — CID 175760233

IUPAC2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol
SMILESCC(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2c(O)cccc2O)n1
InChIInChI=1S/C18H17F2N5O2/c1-9(2)21-17-23-16(15-13(26)4-3-5-14(15)27)24-18(25-17)22-12-7-10(19)6-11(20)8-12/h3-9,26-27H,1-2H3,(H2,21,22,23,24,25)
InChIKeyNJXIMHGWUIIUEQ-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.79
Rot. Bonds5

About 2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol

2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol (PubChem CID 175760233) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol
PubChem CID175760233
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC Name2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol
SMILESCC(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2c(O)cccc2O)n1
InChIInChI=1S/C18H17F2N5O2/c1-9(2)21-17-23-16(15-13(26)4-3-5-14(15)27)24-18(25-17)22-12-7-10(19)6-11(20)8-12/h3-9,26-27H,1-2H3,(H2,21,22,23,24,25)
InChIKeyNJXIMHGWUIIUEQ-UHFFFAOYSA-N
XLogP3.79
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 134138490
4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134150531
2-N-propan-2-yl-4-N-(2-propan-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 123317043
1,2,2-trifluoro-1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol
CID 175286731
3-[[4-(4,4-difluorobutan-2-ylamino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-5-fluorobenzonitrile
CID 123575507
6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 71622873
(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride
CID 134152755
2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762233
2-N-methyl-2-N,6-N-diphenyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 155667011
6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 118470770
2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762087
4-N-[3-(1,1-difluoroethyl)phenyl]-2-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 70992647

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The IUPAC name of 2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol (CID 175760233) is 2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The canonical SMILES for 2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol is CC(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2c(O)cccc2O)n1.
What is the InChIKey of 2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The InChIKey is NJXIMHGWUIIUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-9(2)21-17-23-16(15-13(26)4-3-5-14(15)27)24-18(25-17)22-12-7-10(19)6-11(20)8-12/h3-9,26-27H,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol?
2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol has a molecular weight of 373.36 g/mol, XLogP of 3.79, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 175760233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).