1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one

C11H11BrN4O — CID 100666691

IUPAC1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(Cc2nccc(N)n2)c1=O
InChIInChI=1S/C11H11BrN4O/c1-7-4-8(12)5-16(11(7)17)6-10-14-3-2-9(13)15-10/h2-5H,6H2,1H3,(H2,13,14,15)
InChIKeyOKBRPMFFRYLEIJ-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.34
Rot. Bonds2

About 1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one

1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one (PubChem CID 100666691) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one
PubChem CID100666691
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(Cc2nccc(N)n2)c1=O
InChIInChI=1S/C11H11BrN4O/c1-7-4-8(12)5-16(11(7)17)6-10-14-3-2-9(13)15-10/h2-5H,6H2,1H3,(H2,13,14,15)
InChIKeyOKBRPMFFRYLEIJ-UHFFFAOYSA-N
XLogP1.34
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-Dihydro-6-oxo-5-(4-pyrimidinylamino)-2-pyridinecarboxamide
CID 137631507
6-Methyl-2-(pyrimidin-2-yl)-3,4-dihydropyrimidin-4-one
CID 135966779
1-Methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one
CID 35560020
N-((4-(dimethylamino)pyrimidin-2-yl)methyl)acetamide
CID 73168010
6-methyl-2-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-1H-pyridine-3-carboxamide
CID 72049332
N-((4-(dimethylamino)pyrimidin-2-yl)methyl)propionamide
CID 72718206
1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72902005
1-[2-[(5-Bromopyrimidin-2-yl)amino]ethyl]pyridin-2-one
CID 75482157
(E)-4,4,4-trifluoro-3-methyl-N-(pyrimidin-2-ylmethyl)but-2-enamide
CID 89976350
1-[[4-(Butylamino)-2-methylpyrimidin-5-yl]methyl]-3-fluoropyridin-2-one
CID 121288794
1-[[2-Amino-4-(butylamino)pyrimidin-5-yl]methyl]-3-fluoropyridin-2-one
CID 121288798
4,4,4-trifluoro-3-methyl-N-(pyrimidin-2-ylmethyl)but-2-enamide
CID 123731251

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one?
The IUPAC name of 1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one (CID 100666691) is 1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one.
What is the SMILES notation for 1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one?
The canonical SMILES for 1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one is Cc1cc(Br)cn(Cc2nccc(N)n2)c1=O.
What is the InChIKey of 1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one?
The InChIKey is OKBRPMFFRYLEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-7-4-8(12)5-16(11(7)17)6-10-14-3-2-9(13)15-10/h2-5H,6H2,1H3,(H2,13,14,15).
What are the key properties of 1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one?
1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one has a molecular weight of 295.14 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminopyrimidin-2-yl)methyl]-5-bromo-3-methylpyridin-2-one is sourced from PubChem (CID 100666691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).