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

C16H16FN3 — CID 178202152

IUPAC6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NC(c2ccccc2)CC(c2ccc(F)cc2)N1
InChIInChI=1S/C16H16FN3/c17-13-8-6-12(7-9-13)15-10-14(19-16(18)20-15)11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H3,18,19,20)
InChIKeyICLVPVNRCPKDRD-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.92
Rot. Bonds2

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

6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 178202152) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID178202152
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NC(c2ccccc2)CC(c2ccc(F)cc2)N1
InChIInChI=1S/C16H16FN3/c17-13-8-6-12(7-9-13)15-10-14(19-16(18)20-15)11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H3,18,19,20)
InChIKeyICLVPVNRCPKDRD-UHFFFAOYSA-N
XLogP2.92
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-6-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188498
6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202150
6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202226
4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202191
(2S,4S)-2,4-bis(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 102430675
(5S,7R)-7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 934726
(5S,7S)-7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 934722
2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 73424977
6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188532
(2R,4R)-2-(4-fluorophenyl)-4-methoxy-1,2,3,4-tetrahydroquinoline
CID 124562870
2-(4-fluorophenoxy)-4-phenylcyclohexan-1-amine
CID 45253806
4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188492

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine (CID 178202152) is 6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NC(c2ccccc2)CC(c2ccc(F)cc2)N1.
What is the InChIKey of 6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is ICLVPVNRCPKDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c17-13-8-6-12(7-9-13)15-10-14(19-16(18)20-15)11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H3,18,19,20).
What are the key properties of 6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine?
6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 269.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 178202152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).