4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one

C10H12N4OS — CID 139472125

IUPAC4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2[nH]ncc2C)n1
InChIInChI=1S/C10H12N4OS/c1-6-4-11-14-8(6)5-16-10-12-7(2)3-9(15)13-10/h3-4H,5H2,1-2H3,(H,11,14)(H,12,13,15)
InChIKeyJSYFYPNUOAQTKF-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.40
Rot. Bonds3

About 4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one

4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 139472125) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID139472125
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2[nH]ncc2C)n1
InChIInChI=1S/C10H12N4OS/c1-6-4-11-14-8(6)5-16-10-12-7(2)3-9(15)13-10/h3-4H,5H2,1-2H3,(H,11,14)(H,12,13,15)
InChIKeyJSYFYPNUOAQTKF-UHFFFAOYSA-N
XLogP1.40
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135537907
2-[(5-aminopyrazin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136980695
2-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135473089
4-methyl-2-[(4-methyl-2-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135559183
4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 137156542
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
CID 135410546
2-[(2,3-dimethyl-4H-pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 139472196
2-[4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]propanoic acid
CID 136817545
2-[(4-butoxyphenyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 137201107
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 146025468
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135467192
4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 139472174

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 139472125) is 4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCc2[nH]ncc2C)n1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is JSYFYPNUOAQTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-4-11-14-8(6)5-16-10-12-7(2)3-9(15)13-10/h3-4H,5H2,1-2H3,(H,11,14)(H,12,13,15).
What are the key properties of 4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one?
4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 236.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 139472125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).