1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol

C12H19F3N4O — CID 106141985

IUPAC1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H19F3N4O/c1-11(20,7-19(2)3)6-18-9-4-10(12(13,14)15)17-5-8(9)16/h4-5,20H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyBKSVFGWEVQOGTE-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.41
Rot. Bonds5

About 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106141985) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106141985
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C12H19F3N4O/c1-11(20,7-19(2)3)6-18-9-4-10(12(13,14)15)17-5-8(9)16/h4-5,20H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyBKSVFGWEVQOGTE-UHFFFAOYSA-N
XLogP1.41
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-((3-Aminopyridin-4-yl)amino)ethan-1-ol
CID 1870972
1-Piperazineethanol, 4-(3-amino-4-pyridyl)-
CID 3060389
6-(Trifluoromethyl)pyridine-3,4-diamine
CID 22380004
N4-(2-methoxyethyl)pyridine-3,4-diamine
CID 28318597
1-(2-(Trifluoromethyl)Pyridin-4-Yl)Piperazine
CID 69037547
N4-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 104866692
3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 117780174
N3-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3,4-diamine
CID 122446354
2-[(3R)-1-[5-amino-6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propan-2-ol
CID 168289317
N4-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3,4-diamine
CID 177801012
tert-butyl N-[2-ethyl-3-[(2,2,2-trifluoroacetyl)amino]-4-pyridinyl]carbamate
CID 135014992
tert-butyl N-[2-methyl-3-[(2,2,2-trifluoroacetyl)amino]-4-pyridinyl]carbamate
CID 135014993

Frequently Asked Questions

What is the IUPAC name of 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 106141985) is 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is BKSVFGWEVQOGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-11(20,7-19(2)3)6-18-9-4-10(12(13,14)15)17-5-8(9)16/h4-5,20H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 292.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106141985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).