4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one

C8H13N3OS — CID 123478764

IUPAC4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNS)c(=O)n1
InChIInChI=1S/C8H13N3OS/c1-6-5-7(2)11(4-3-9-13)8(12)10-6/h5,9,13H,3-4H2,1-2H3
InChIKeySQHQSAMKJIWCKD-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.29
Rot. Bonds3

About 4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one

4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one (PubChem CID 123478764) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one
PubChem CID123478764
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNS)c(=O)n1
InChIInChI=1S/C8H13N3OS/c1-6-5-7(2)11(4-3-9-13)8(12)10-6/h5,9,13H,3-4H2,1-2H3
InChIKeySQHQSAMKJIWCKD-UHFFFAOYSA-N
XLogP0.29
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethanethioamide
CID 24696468
1-ethyl-4,6-dimethyl-2(1H)-pyrimidinone
CID 1711493
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one
CID 43752778
4,6-Dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one
CID 62563288
1-(2-aminoethyl)-4,6-dimethylpyrimidin-2(1H)-one
CID 1511764
4,6-Dimethyl-1-[2-(methylamino)ethyl]pyrimidin-2-one
CID 61386999
4,6-Dimethyl-1-[2-(propan-2-ylamino)ethyl]pyrimidin-2-one
CID 61387026
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 1711496
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)ethylazanium
CID 7200828
1-(3-Aminopropyl)-4,6-dimethylpyrimidin-2-one
CID 16788264
1-(2-Aminopropyl)-4,6-dimethylpyrimidin-2-one
CID 16794315
1-(4-Aminobutyl)-4,6-dimethylpyrimidin-2-one
CID 20113355

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one (CID 123478764) is 4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one is Cc1cc(C)n(CCNS)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one?
The InChIKey is SQHQSAMKJIWCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-5-7(2)11(4-3-9-13)8(12)10-6/h5,9,13H,3-4H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one?
4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one has a molecular weight of 199.28 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 123478764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).