5-bromo-N-cyclohexylpyrimidin-2-amine

C10H14BrN3 — CID 5001840

IUPAC5-bromo-N-cyclohexylpyrimidin-2-amine
SMILESBrc1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C10H14BrN3/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,12,13,14)
InChIKeyQRGGKWPYPCIJAD-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.98
Rot. Bonds2

About 5-bromo-N-cyclohexylpyrimidin-2-amine

5-bromo-N-cyclohexylpyrimidin-2-amine (PubChem CID 5001840) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 5-bromo-N-cyclohexylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclohexylpyrimidin-2-amine
PubChem CID5001840
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name5-bromo-N-cyclohexylpyrimidin-2-amine
SMILESBrc1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C10H14BrN3/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,12,13,14)
InChIKeyQRGGKWPYPCIJAD-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-cyclohexylpyrimidin-2-amine (CID 5001840) is 5-bromo-N-cyclohexylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclohexylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-cyclohexylpyrimidin-2-amine is Brc1cnc(NC2CCCCC2)nc1.
What is the InChIKey of 5-bromo-N-cyclohexylpyrimidin-2-amine?
The InChIKey is QRGGKWPYPCIJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,12,13,14).
What are the key properties of 5-bromo-N-cyclohexylpyrimidin-2-amine?
5-bromo-N-cyclohexylpyrimidin-2-amine has a molecular weight of 256.15 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexylpyrimidin-2-amine is sourced from PubChem (CID 5001840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).