3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide

C10H15N3OS — CID 43368019

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide
SMILESCc1cc(C)n(CC(C)C(N)=S)c(=O)n1
InChIInChI=1S/C10H15N3OS/c1-6(9(11)15)5-13-8(3)4-7(2)12-10(13)14/h4,6H,5H2,1-3H3,(H2,11,15)
InChIKeyRCYWTXHRBBXCSW-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.78
Rot. Bonds3

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide (PubChem CID 43368019) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide
PubChem CID43368019
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide
SMILESCc1cc(C)n(CC(C)C(N)=S)c(=O)n1
InChIInChI=1S/C10H15N3OS/c1-6(9(11)15)5-13-8(3)4-7(2)12-10(13)14/h4,6H,5H2,1-3H3,(H2,11,15)
InChIKeyRCYWTXHRBBXCSW-UHFFFAOYSA-N
XLogP0.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethanethioamide
CID 24696468
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-4,6-dimethylpyrimidin-2-one
CID 103366508
2-[(4,6-Dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 113807871
2-(2-oxo-1H-pyrimidin-6-yl)propanethioamide
CID 123604381
1-(3-Aminopropyl)-4,6-dimethylpyrimidin-2-one
CID 16788264
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanethioamide
CID 24692840
4-(4,6-Dimethyl-2-oxopyrimidin-1-yl)butanethioamide
CID 24697814
N-(3-amino-3-sulfanylidenepropyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide
CID 43290793
1-(3-Amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one
CID 43367702
5-(4,6-Dimethyl-2-oxopyrimidin-1-yl)pentanethioamide
CID 61522668
4,6-Dimethyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one
CID 62564668
4,6-Dimethyl-1-[2-methyl-3-(propylamino)propyl]pyrimidin-2-one
CID 64231665

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide (CID 43368019) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide is Cc1cc(C)n(CC(C)C(N)=S)c(=O)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide?
The InChIKey is RCYWTXHRBBXCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6(9(11)15)5-13-8(3)4-7(2)12-10(13)14/h4,6H,5H2,1-3H3,(H2,11,15).
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide has a molecular weight of 225.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanethioamide is sourced from PubChem (CID 43368019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).