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

C10H12BrN3 — CID 13034505

IUPAC5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCC(c2cccc(Br)c2)CN1
InChIInChI=1S/C10H12BrN3/c11-9-3-1-2-7(4-9)8-5-13-10(12)14-6-8/h1-4,8H,5-6H2,(H3,12,13,14)
InChIKeyFLQZWGSSZIFZAU-UHFFFAOYSA-N
MW254.13 g/mol
LogP1.45
Rot. Bonds1

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

5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 13034505) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID13034505
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCC(c2cccc(Br)c2)CN1
InChIInChI=1S/C10H12BrN3/c11-9-3-1-2-7(4-9)8-5-13-10(12)14-6-8/h1-4,8H,5-6H2,(H3,12,13,14)
InChIKeyFLQZWGSSZIFZAU-UHFFFAOYSA-N
XLogP1.45
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 13034505) is 5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NCC(c2cccc(Br)c2)CN1.
What is the InChIKey of 5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is FLQZWGSSZIFZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-9-3-1-2-7(4-9)8-5-13-10(12)14-6-8/h1-4,8H,5-6H2,(H3,12,13,14).
What are the key properties of 5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 254.13 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 13034505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).