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

C13H18N4OS — CID 137156542

IUPAC4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2nc(C(C)C)[nH]c2C)n1
InChIInChI=1S/C13H18N4OS/c1-7(2)12-15-9(4)10(16-12)6-19-13-14-8(3)5-11(18)17-13/h5,7H,6H2,1-4H3,(H,15,16)(H,14,17,18)
InChIKeyRDUWMOPUNJKZJJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.53
Rot. Bonds4

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

4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 137156542) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID137156542
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2nc(C(C)C)[nH]c2C)n1
InChIInChI=1S/C13H18N4OS/c1-7(2)12-15-9(4)10(16-12)6-19-13-14-8(3)5-11(18)17-13/h5,7H,6H2,1-4H3,(H,15,16)(H,14,17,18)
InChIKeyRDUWMOPUNJKZJJ-UHFFFAOYSA-N
XLogP2.53
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
4-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135537907
2-[4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]propanoic acid
CID 136817545
2-[(5-aminopyrazin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136980695
4-methyl-2-[(4-methyl-1H-pyrazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 139472125
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
2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanimidamide
CID 135922171
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-butoxyphenyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 137201107
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135467192

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 137156542) is 4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCc2nc(C(C)C)[nH]c2C)n1.
What is the InChIKey of 4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is RDUWMOPUNJKZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-7(2)12-15-9(4)10(16-12)6-19-13-14-8(3)5-11(18)17-13/h5,7H,6H2,1-4H3,(H,15,16)(H,14,17,18).
What are the key properties of 4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 278.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137156542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).