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

C18H20FN3O — CID 143213318

IUPAC2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol
SMILESCN1C(N)=NC(C)(c2cccc(-c3ccccc3F)c2)CC1O
InChIInChI=1S/C18H20FN3O/c1-18(11-16(23)22(2)17(20)21-18)13-7-5-6-12(10-13)14-8-3-4-9-15(14)19/h3-10,16,23H,11H2,1-2H3,(H2,20,21)
InChIKeyLVBWFIJINUBHSG-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.68
Rot. Bonds2

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

2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol (PubChem CID 143213318) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol.

Molecular Properties

Compound Name2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol
PubChem CID143213318
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol
SMILESCN1C(N)=NC(C)(c2cccc(-c3ccccc3F)c2)CC1O
InChIInChI=1S/C18H20FN3O/c1-18(11-16(23)22(2)17(20)21-18)13-7-5-6-12(10-13)14-8-3-4-9-15(14)19/h3-10,16,23H,11H2,1-2H3,(H2,20,21)
InChIKeyLVBWFIJINUBHSG-UHFFFAOYSA-N
XLogP2.68
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol?
The IUPAC name of 2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol (CID 143213318) is 2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol.
What is the SMILES notation for 2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol?
The canonical SMILES for 2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol is CN1C(N)=NC(C)(c2cccc(-c3ccccc3F)c2)CC1O.
What is the InChIKey of 2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol?
The InChIKey is LVBWFIJINUBHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-18(11-16(23)22(2)17(20)21-18)13-7-5-6-12(10-13)14-8-3-4-9-15(14)19/h3-10,16,23H,11H2,1-2H3,(H2,20,21).
What are the key properties of 2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol?
2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol has a molecular weight of 313.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(2-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-4-ol is sourced from PubChem (CID 143213318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).