5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one

C11H12BrN5O — CID 166713879

IUPAC5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)nc(NCc2ccc(Br)cn2)c1N
InChIInChI=1S/C11H12BrN5O/c1-6-9(13)10(17-11(18)16-6)15-5-8-3-2-7(12)4-14-8/h2-4H,5,13H2,1H3,(H2,15,16,17,18)
InChIKeyQHSSJMYZRZGCBP-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.43
Rot. Bonds3

About 5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one

5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one (PubChem CID 166713879) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one
PubChem CID166713879
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)nc(NCc2ccc(Br)cn2)c1N
InChIInChI=1S/C11H12BrN5O/c1-6-9(13)10(17-11(18)16-6)15-5-8-3-2-7(12)4-14-8/h2-4H,5,13H2,1H3,(H2,15,16,17,18)
InChIKeyQHSSJMYZRZGCBP-UHFFFAOYSA-N
XLogP1.43
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
CID 113344581
1-[2-[(5-bromo-2-pyridinyl)methylamino]phenyl]ethanone
CID 166438397
5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104797243
2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol
CID 64550786
N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline
CID 65467806
N-[(5-bromo-2-pyridinyl)methyl]-3-fluoro-2-iodoaniline
CID 114258358
3-[(5-bromo-2-pyridinyl)methylamino]-2,2,3-trimethylbutanoic acid
CID 104800425
4-[(5-bromo-2-pyridinyl)methylamino]-4-oxobutanoic acid
CID 69336719
N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656244
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
N-[(5-bromo-2-pyridinyl)methyl]-1-propan-2-ylpyrazol-3-amine
CID 114094567
4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline
CID 79479390

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one (CID 166713879) is 5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one is Cc1[nH]c(=O)nc(NCc2ccc(Br)cn2)c1N.
What is the InChIKey of 5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one?
The InChIKey is QHSSJMYZRZGCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-6-9(13)10(17-11(18)16-6)15-5-8-3-2-7(12)4-14-8/h2-4H,5,13H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one?
5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one has a molecular weight of 310.16 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(5-bromo-2-pyridinyl)methylamino]-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 166713879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).