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

C19H20F3N3O — CID 143213405

IUPAC2-amino-3,6-dimethyl-6-[3-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol
SMILESCN1C(N)=NC(C)(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC1O
InChIInChI=1S/C19H20F3N3O/c1-18(11-16(26)25(2)17(23)24-18)15-5-3-4-13(10-15)12-6-8-14(9-7-12)19(20,21)22/h3-10,16,26H,11H2,1-2H3,(H2,23,24)
InChIKeyARZPBGNABBKNRR-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.56
Rot. Bonds2

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

2-amino-3,6-dimethyl-6-[3-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol (PubChem CID 143213405) 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-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-6-[3-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol
PubChem CID143213405
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name2-amino-3,6-dimethyl-6-[3-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol
SMILESCN1C(N)=NC(C)(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC1O
InChIInChI=1S/C19H20F3N3O/c1-18(11-16(26)25(2)17(23)24-18)15-5-3-4-13(10-15)12-6-8-14(9-7-12)19(20,21)22/h3-10,16,26H,11H2,1-2H3,(H2,23,24)
InChIKeyARZPBGNABBKNRR-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-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol?
The IUPAC name of 2-amino-3,6-dimethyl-6-[3-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol (CID 143213405) is 2-amino-3,6-dimethyl-6-[3-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol.
What is the SMILES notation for 2-amino-3,6-dimethyl-6-[3-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol?
The canonical SMILES for 2-amino-3,6-dimethyl-6-[3-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol is CN1C(N)=NC(C)(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC1O.
What is the InChIKey of 2-amino-3,6-dimethyl-6-[3-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol?
The InChIKey is ARZPBGNABBKNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-18(11-16(26)25(2)17(23)24-18)15-5-3-4-13(10-15)12-6-8-14(9-7-12)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-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol?
2-amino-3,6-dimethyl-6-[3-[4-(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-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydropyrimidin-4-ol is sourced from PubChem (CID 143213405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).