5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine

C10H12BrN5O — CID 113434060

IUPAC5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCCn2ccnc2)ncc1Br
InChIInChI=1S/C10H12BrN5O/c1-17-9-8(11)6-14-10(15-9)13-3-5-16-4-2-12-7-16/h2,4,6-7H,3,5H2,1H3,(H,13,14,15)
InChIKeyAGGQQOYMUDMKNN-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.56
Rot. Bonds5

About 5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine

5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine (PubChem CID 113434060) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine
PubChem CID113434060
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCCn2ccnc2)ncc1Br
InChIInChI=1S/C10H12BrN5O/c1-17-9-8(11)6-14-10(15-9)13-3-5-16-4-2-12-7-16/h2,4,6-7H,3,5H2,1H3,(H,13,14,15)
InChIKeyAGGQQOYMUDMKNN-UHFFFAOYSA-N
XLogP1.56
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-2-amine
CID 103745781
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine
CID 154736370
N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine
CID 112551949
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
CID 106998101
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698
6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80809601
methyl 3-amino-5-[[5-bromo-4-(2-imidazol-1-ylethylamino)pyrimidin-2-yl]amino]benzoate
CID 68820359
5-bromo-4-methoxy-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 106997923
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propane-1-sulfonamide
CID 106997682
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 106337859

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine (CID 113434060) is 5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine is COc1nc(NCCn2ccnc2)ncc1Br.
What is the InChIKey of 5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine?
The InChIKey is AGGQQOYMUDMKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c1-17-9-8(11)6-14-10(15-9)13-3-5-16-4-2-12-7-16/h2,4,6-7H,3,5H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine has a molecular weight of 298.14 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 113434060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).