5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine

C12H16BrN5 — CID 71996281

IUPAC5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine
SMILESCC(C)Cn1ccnc1CNc1ncc(Br)cn1
InChIInChI=1S/C12H16BrN5/c1-9(2)8-18-4-3-14-11(18)7-17-12-15-5-10(13)6-16-12/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyVCVLJMRGHKVHQD-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.70
Rot. Bonds5

About 5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine

5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine (PubChem CID 71996281) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine
PubChem CID71996281
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine
SMILESCC(C)Cn1ccnc1CNc1ncc(Br)cn1
InChIInChI=1S/C12H16BrN5/c1-9(2)8-18-4-3-14-11(18)7-17-12-15-5-10(13)6-16-12/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyVCVLJMRGHKVHQD-UHFFFAOYSA-N
XLogP2.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine (CID 71996281) is 5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine is CC(C)Cn1ccnc1CNc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is VCVLJMRGHKVHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-9(2)8-18-4-3-14-11(18)7-17-12-15-5-10(13)6-16-12/h3-6,9H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine?
5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 310.20 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 71996281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).