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

C9H8BrN5O — CID 135568334

IUPAC5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(Nc2ccc(Br)cn2)nc[nH]c1=O
InChIInChI=1S/C9H8BrN5O/c10-5-1-2-6(12-3-5)15-8-7(11)9(16)14-4-13-8/h1-4H,11H2,(H2,12,13,14,15,16)
InChIKeyMDOZNYNKKFDRGZ-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.25
Rot. Bonds2

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

5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one (PubChem CID 135568334) has the molecular formula C9H8BrN5O and a molecular weight of 282.10 g/mol. Its IUPAC name is 5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one
PubChem CID135568334
Molecular FormulaC9H8BrN5O
Molecular Weight282.10 g/mol
Exact Mass280.99
IUPAC Name5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(Nc2ccc(Br)cn2)nc[nH]c1=O
InChIInChI=1S/C9H8BrN5O/c10-5-1-2-6(12-3-5)15-8-7(11)9(16)14-4-13-8/h1-4H,11H2,(H2,12,13,14,15,16)
InChIKeyMDOZNYNKKFDRGZ-UHFFFAOYSA-N
XLogP1.25
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137129
5-amino-4-[(6-methyl-2-pyridinyl)amino]-1H-pyrimidin-6-one
CID 135709701
6-N-(5-bromo-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144598
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143153
4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135431
1-[4-[[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 19147207
6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 19147282
6-N-(5-bromo-2-pyridinyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135818
6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136762
5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
CID 136974016
5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 135568342
5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one
CID 135709693

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one (CID 135568334) is 5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one is Nc1c(Nc2ccc(Br)cn2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one?
The InChIKey is MDOZNYNKKFDRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O/c10-5-1-2-6(12-3-5)15-8-7(11)9(16)14-4-13-8/h1-4H,11H2,(H2,12,13,14,15,16).
What are the key properties of 5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one has a molecular weight of 282.10 g/mol, XLogP of 1.25, 2 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)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135568334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).