2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol

C19H20F3N3O — CID 143213323

IUPAC2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol
SMILESCN1C(N)=NC(C)(c2cccc(-c3ccccc3C(F)(F)F)c2)CC1O
InChIInChI=1S/C19H20F3N3O/c1-18(11-16(26)25(2)17(23)24-18)13-7-5-6-12(10-13)14-8-3-4-9-15(14)19(20,21)22/h3-10,16,26H,11H2,1-2H3,(H2,23,24)
InChIKeyXDCAWWHMUCBCFY-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.56
Rot. Bonds2

About 2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol

2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol (PubChem CID 143213323) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol
PubChem CID143213323
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol
SMILESCN1C(N)=NC(C)(c2cccc(-c3ccccc3C(F)(F)F)c2)CC1O
InChIInChI=1S/C19H20F3N3O/c1-18(11-16(26)25(2)17(23)24-18)13-7-5-6-12(10-13)14-8-3-4-9-15(14)19(20,21)22/h3-10,16,26H,11H2,1-2H3,(H2,23,24)
InChIKeyXDCAWWHMUCBCFY-UHFFFAOYSA-N
XLogP3.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol?
The IUPAC name of 2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol (CID 143213323) is 2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol.
What is the SMILES notation for 2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol?
The canonical SMILES for 2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol is CN1C(N)=NC(C)(c2cccc(-c3ccccc3C(F)(F)F)c2)CC1O.
What is the InChIKey of 2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol?
The InChIKey is XDCAWWHMUCBCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-18(11-16(26)25(2)17(23)24-18)13-7-5-6-12(10-13)14-8-3-4-9-15(14)19(20,21)22/h3-10,16,26H,11H2,1-2H3,(H2,23,24).
What are the key properties of 2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol?
2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol has a molecular weight of 363.38 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol is sourced from PubChem (CID 143213323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).