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

C10H12FN3 — CID 20546112

IUPAC6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2ccc(F)cc2)N1
InChIInChI=1S/C10H12FN3/c11-8-3-1-7(2-4-8)9-5-6-13-10(12)14-9/h1-4,9H,5-6H2,(H3,12,13,14)
InChIKeyAGQSRUQCCHFGAK-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.17
Rot. Bonds1

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

6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 20546112) has the molecular formula C10H12FN3 and a molecular weight of 193.23 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID20546112
Molecular FormulaC10H12FN3
Molecular Weight193.23 g/mol
Exact Mass193.10
IUPAC Name6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2ccc(F)cc2)N1
InChIInChI=1S/C10H12FN3/c11-8-3-1-7(2-4-8)9-5-6-13-10(12)14-9/h1-4,9H,5-6H2,(H3,12,13,14)
InChIKeyAGQSRUQCCHFGAK-UHFFFAOYSA-N
XLogP1.17
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 20546112) is 6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NCCC(c2ccc(F)cc2)N1.
What is the InChIKey of 6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is AGQSRUQCCHFGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c11-8-3-1-7(2-4-8)9-5-6-13-10(12)14-9/h1-4,9H,5-6H2,(H3,12,13,14).
What are the key properties of 6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 193.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 20546112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).