5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine

C13H18BrN5 — CID 146145450

IUPAC5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C(C)C)nc(NCCn2ccnc2)c1Br
InChIInChI=1S/C13H18BrN5/c1-9(2)12-17-10(3)11(14)13(18-12)16-5-7-19-6-4-15-8-19/h4,6,8-9H,5,7H2,1-3H3,(H,16,17,18)
InChIKeyFUFZXHIWFIFTLA-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.98
Rot. Bonds5

About 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine

5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 146145450) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID146145450
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C(C)C)nc(NCCn2ccnc2)c1Br
InChIInChI=1S/C13H18BrN5/c1-9(2)12-17-10(3)11(14)13(18-12)16-5-7-19-6-4-15-8-19/h4,6,8-9H,5,7H2,1-3H3,(H,16,17,18)
InChIKeyFUFZXHIWFIFTLA-UHFFFAOYSA-N
XLogP2.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984374
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80964166
4-N-(2-imidazol-1-ylethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80809045
4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
CID 39755706
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80809433
4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985899
5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 146145487
4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986213
6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80809043
2-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
CID 80896447
4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80808824
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine (CID 146145450) is 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1nc(C(C)C)nc(NCCn2ccnc2)c1Br.
What is the InChIKey of 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is FUFZXHIWFIFTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-9(2)12-17-10(3)11(14)13(18-12)16-5-7-19-6-4-15-8-19/h4,6,8-9H,5,7H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 324.23 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 146145450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).