4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C17H18FN3O — CID 178188498

IUPAC4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(C2CC(c3cccc(F)c3)N=C(N)N2)cc1
InChIInChI=1S/C17H18FN3O/c1-22-14-7-5-11(6-8-14)15-10-16(21-17(19)20-15)12-3-2-4-13(18)9-12/h2-9,15-16H,10H2,1H3,(H3,19,20,21)
InChIKeyWEPOVUXGSVOMJA-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.92
Rot. Bonds3

About 4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 178188498) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID178188498
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(C2CC(c3cccc(F)c3)N=C(N)N2)cc1
InChIInChI=1S/C17H18FN3O/c1-22-14-7-5-11(6-8-14)15-10-16(21-17(19)20-15)12-3-2-4-13(18)9-12/h2-9,15-16H,10H2,1H3,(H3,19,20,21)
InChIKeyWEPOVUXGSVOMJA-UHFFFAOYSA-N
XLogP2.92
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202191
6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202150
6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202152
6-(2,4-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188490
6-(2,3-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202174
7-(3-fluorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 135652312
(5S,7S)-7-(3-fluorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 135830502
(5R,7R)-7-(3-fluorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 135830501
(1R,5S,6R,7S)-6-(3-fluorophenyl)-7-(4-methoxyphenyl)-3-oxabicyclo[3.2.0]heptane
CID 135068537
(5R,7S)-5-(4-fluorophenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 937466
6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188532
7-(3-fluorophenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 4125733

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 178188498) is 4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is COc1ccc(C2CC(c3cccc(F)c3)N=C(N)N2)cc1.
What is the InChIKey of 4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is WEPOVUXGSVOMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-22-14-7-5-11(6-8-14)15-10-16(21-17(19)20-15)12-3-2-4-13(18)9-12/h2-9,15-16H,10H2,1H3,(H3,19,20,21).
What are the key properties of 4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 299.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 178188498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).