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

C18H20FN3 — CID 68929019

IUPAC6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine
SMILESCN1CCC(C)(c2cccc(-c3ccc(F)cc3)c2)N=C1N
InChIInChI=1S/C18H20FN3/c1-18(10-11-22(2)17(20)21-18)15-5-3-4-14(12-15)13-6-8-16(19)9-7-13/h3-9,12H,10-11H2,1-2H3,(H2,20,21)
InChIKeySIMMETGWVRVLRH-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.36
Rot. Bonds2

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

6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine (PubChem CID 68929019) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine
PubChem CID68929019
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine
SMILESCN1CCC(C)(c2cccc(-c3ccc(F)cc3)c2)N=C1N
InChIInChI=1S/C18H20FN3/c1-18(10-11-22(2)17(20)21-18)15-5-3-4-14(12-15)13-6-8-16(19)9-7-13/h3-9,12H,10-11H2,1-2H3,(H2,20,21)
InChIKeySIMMETGWVRVLRH-UHFFFAOYSA-N
XLogP3.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine?
The IUPAC name of 6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine (CID 68929019) is 6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine?
The canonical SMILES for 6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine is CN1CCC(C)(c2cccc(-c3ccc(F)cc3)c2)N=C1N.
What is the InChIKey of 6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine?
The InChIKey is SIMMETGWVRVLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-18(10-11-22(2)17(20)21-18)15-5-3-4-14(12-15)13-6-8-16(19)9-7-13/h3-9,12H,10-11H2,1-2H3,(H2,20,21).
What are the key properties of 6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine?
6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine has a molecular weight of 297.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)phenyl]-3,6-dimethyl-4,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 68929019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).