2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one

C12H11N5OS — CID 136728223

IUPAC2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2cc3[nH]ncc3cc2N)n1
InChIInChI=1S/C12H11N5OS/c1-6-2-11(18)16-12(15-6)19-10-4-9-7(3-8(10)13)5-14-17-9/h2-5H,13H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyFPRDQZPBYYJFCW-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.69
Rot. Bonds2

About 2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one

2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136728223) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136728223
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2cc3[nH]ncc3cc2N)n1
InChIInChI=1S/C12H11N5OS/c1-6-2-11(18)16-12(15-6)19-10-4-9-7(3-8(10)13)5-14-17-9/h2-5H,13H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyFPRDQZPBYYJFCW-UHFFFAOYSA-N
XLogP1.69
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(5-methylpyrimidin-2-yl)sulfanyl-1H-indazol-5-amine
CID 107491447
2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135933637
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine
CID 107491518
3-amino-N-methyl-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzenesulfonamide
CID 135952294
2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135876353
6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine
CID 107491495
6-methyl-5-propan-2-yl-1H-indazole
CID 58371515
2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzoic acid
CID 135968118
4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 139472125
4-chloro-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzaldehyde
CID 137005032
2-[(5-aminopyrazin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136980695
4-amino-2-(2-amino-5-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 136731401

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one (CID 136728223) is 2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Sc2cc3[nH]ncc3cc2N)n1.
What is the InChIKey of 2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is FPRDQZPBYYJFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-6-2-11(18)16-12(15-6)19-10-4-9-7(3-8(10)13)5-14-17-9/h2-5H,13H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of 2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one?
2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 273.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136728223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).