5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one

C8H8BrN5O — CID 136976348

IUPAC5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one
SMILESCn1ccc(Nc2nc[nH]c(=O)c2Br)n1
InChIInChI=1S/C8H8BrN5O/c1-14-3-2-5(13-14)12-7-6(9)8(15)11-4-10-7/h2-4H,1H3,(H2,10,11,12,13,15)
InChIKeyUKONXOWSZBKLDS-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.01
Rot. Bonds2

About 5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136976348) has the molecular formula C8H8BrN5O and a molecular weight of 270.09 g/mol. Its IUPAC name is 5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136976348
Molecular FormulaC8H8BrN5O
Molecular Weight270.09 g/mol
Exact Mass268.99
IUPAC Name5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one
SMILESCn1ccc(Nc2nc[nH]c(=O)c2Br)n1
InChIInChI=1S/C8H8BrN5O/c1-14-3-2-5(13-14)12-7-6(9)8(15)11-4-10-7/h2-4H,1H3,(H2,10,11,12,13,15)
InChIKeyUKONXOWSZBKLDS-UHFFFAOYSA-N
XLogP1.01
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-3-yl)-7H-purin-6-amine
CID 79778598
5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one
CID 136697012
5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one
CID 136976272
5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one
CID 136971359
5-bromo-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136955885
5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one
CID 136970901
5-bromo-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974331
5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 80850079
5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one
CID 136955873
5-bromo-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975262
5-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1H-pyrimidin-6-one
CID 136970434
N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 112723681

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one (CID 136976348) is 5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one is Cn1ccc(Nc2nc[nH]c(=O)c2Br)n1.
What is the InChIKey of 5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is UKONXOWSZBKLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O/c1-14-3-2-5(13-14)12-7-6(9)8(15)11-4-10-7/h2-4H,1H3,(H2,10,11,12,13,15).
What are the key properties of 5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 270.09 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).