4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one

C12H13N3O2S — CID 135463640

IUPAC4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCOc1cccc(CSc2nc(N)cc(=O)[nH]2)c1
InChIInChI=1S/C12H13N3O2S/c1-17-9-4-2-3-8(5-9)7-18-12-14-10(13)6-11(16)15-12/h2-6H,7H2,1H3,(H3,13,14,15,16)
InChIKeyUYHWBKGKIYCBDL-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.65
Rot. Bonds4

About 4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one

4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 135463640) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID135463640
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCOc1cccc(CSc2nc(N)cc(=O)[nH]2)c1
InChIInChI=1S/C12H13N3O2S/c1-17-9-4-2-3-8(5-9)7-18-12-14-10(13)6-11(16)15-12/h2-6H,7H2,1H3,(H3,13,14,15,16)
InChIKeyUYHWBKGKIYCBDL-UHFFFAOYSA-N
XLogP1.65
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-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-amino-2-benzylsulfanyl-1H-pyrimidin-6-one
CID 135412524
4-amino-2-[(3-iodophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135476156
2-[(3-methoxyphenyl)methylsulfanyl]-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136687143
4-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 141462139
4-amino-2-[2-(3-ethylphenoxy)ethylsulfanyl]-1H-pyrimidin-6-one
CID 135547379
N-[(3-methoxyphenyl)methyl]-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136615935
N-(4-acetamidophenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136615948
4-amino-2-[(3-amino-4-bromophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136999058
2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 136615866
N-(2,5-dimethoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136615861
N-cyclohexyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136615890
N-(3-fluorophenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136615857

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one (CID 135463640) is 4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one is COc1cccc(CSc2nc(N)cc(=O)[nH]2)c1.
What is the InChIKey of 4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is UYHWBKGKIYCBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-17-9-4-2-3-8(5-9)7-18-12-14-10(13)6-11(16)15-12/h2-6H,7H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one?
4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 263.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135463640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).