4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine

C16H18BrN3 — CID 116899111

IUPAC4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine
SMILESNC1CCC(c2nccc(-c3ccc(Br)cc3)n2)CC1
InChIInChI=1S/C16H18BrN3/c17-13-5-1-11(2-6-13)15-9-10-19-16(20-15)12-3-7-14(18)8-4-12/h1-2,5-6,9-10,12,14H,3-4,7-8,18H2
InChIKeyUYIFFYQTFALOBR-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.89
Rot. Bonds2

About 4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine

4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine (PubChem CID 116899111) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine
PubChem CID116899111
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine
SMILESNC1CCC(c2nccc(-c3ccc(Br)cc3)n2)CC1
InChIInChI=1S/C16H18BrN3/c17-13-5-1-11(2-6-13)15-9-10-19-16(20-15)12-3-7-14(18)8-4-12/h1-2,5-6,9-10,12,14H,3-4,7-8,18H2
InChIKeyUYIFFYQTFALOBR-UHFFFAOYSA-N
XLogP3.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine (CID 116899111) is 4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine is NC1CCC(c2nccc(-c3ccc(Br)cc3)n2)CC1.
What is the InChIKey of 4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine?
The InChIKey is UYIFFYQTFALOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c17-13-5-1-11(2-6-13)15-9-10-19-16(20-15)12-3-7-14(18)8-4-12/h1-2,5-6,9-10,12,14H,3-4,7-8,18H2.
What are the key properties of 4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine?
4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine has a molecular weight of 332.25 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 116899111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).