1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol

C17H21F3N6O — CID 123967056

IUPAC1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc(NC(C)C2CC2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C17H21F3N6O/c1-9(27)8-21-15-24-14(12-4-3-5-13(23-12)17(18,19)20)25-16(26-15)22-10(2)11-6-7-11/h3-5,9-11,27H,6-8H2,1-2H3,(H2,21,22,24,25,26)
InChIKeyYADRVMCMMMHOSZ-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.96
Rot. Bonds7

About 1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol

1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol (PubChem CID 123967056) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
PubChem CID123967056
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC Name1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc(NC(C)C2CC2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C17H21F3N6O/c1-9(27)8-21-15-24-14(12-4-3-5-13(23-12)17(18,19)20)25-16(26-15)22-10(2)11-6-7-11/h3-5,9-11,27H,6-8H2,1-2H3,(H2,21,22,24,25,26)
InChIKeyYADRVMCMMMHOSZ-UHFFFAOYSA-N
XLogP2.96
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol 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

methyl 3-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propanoate
CID 122440968
4-N-(2-adamantyl)-2-N-(1-cyclopropylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 123185503
4-N-[(1R)-1-cyclopropylethyl]-2-N-[3-(phosphanylmethyl)oct-7-en-2-yl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 138579975
2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 126624842
2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 129049009
1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 122206458
2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 126624904
2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 123885457
6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-(2-methylbutyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 146867881
[3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
CID 126624883
2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 172842387
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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol (CID 123967056) is 1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol is CC(O)CNc1nc(NC(C)C2CC2)nc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The InChIKey is YADRVMCMMMHOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c1-9(27)8-21-15-24-14(12-4-3-5-13(23-12)17(18,19)20)25-16(26-15)22-10(2)11-6-7-11/h3-5,9-11,27H,6-8H2,1-2H3,(H2,21,22,24,25,26).
What are the key properties of 1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol?
1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol has a molecular weight of 382.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 123967056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).