1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol

C18H20F6N4O2 — CID 60567589

IUPAC1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCN(C)c1cc(C(F)(F)F)nc(N(C)CC(O)COc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H20F6N4O2/c1-27(2)15-8-14(18(22,23)24)25-16(26-15)28(3)9-11(29)10-30-13-7-5-4-6-12(13)17(19,20)21/h4-8,11,29H,9-10H2,1-3H3
InChIKeyPRPJEYKVDXVYHA-UHFFFAOYSA-N
MW438.37 g/mol
LogP3.46
Rot. Bonds7

About 1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol

1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 60567589) has the molecular formula C18H20F6N4O2 and a molecular weight of 438.37 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID60567589
Molecular FormulaC18H20F6N4O2
Molecular Weight438.37 g/mol
Exact Mass438.15
IUPAC Name1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCN(C)c1cc(C(F)(F)F)nc(N(C)CC(O)COc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H20F6N4O2/c1-27(2)15-8-14(18(22,23)24)25-16(26-15)28(3)9-11(29)10-30-13-7-5-4-6-12(13)17(19,20)21/h4-8,11,29H,9-10H2,1-3H3
InChIKeyPRPJEYKVDXVYHA-UHFFFAOYSA-N
XLogP3.46
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol (CID 60567589) is 1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol is CN(C)c1cc(C(F)(F)F)nc(N(C)CC(O)COc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is PRPJEYKVDXVYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F6N4O2/c1-27(2)15-8-14(18(22,23)24)25-16(26-15)28(3)9-11(29)10-30-13-7-5-4-6-12(13)17(19,20)21/h4-8,11,29H,9-10H2,1-3H3.
What are the key properties of 1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 438.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 60567589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).