1,3-dimethyl-4-methyliminopyrimidine-2-thione

C7H11N3S — CID 57255514

IUPAC1,3-dimethyl-4-methyliminopyrimidine-2-thione
SMILESC/N=c1\ccn(C)c(=S)n1C
InChIInChI=1S/C7H11N3S/c1-8-6-4-5-9(2)7(11)10(6)3/h4-5H,1-3H3/b8-6+
InChIKeyOBXHSOIMPWGVTI-SOFGYWHQSA-N
MW169.25 g/mol
LogP0.62
Rot. Bonds

About 1,3-dimethyl-4-methyliminopyrimidine-2-thione

1,3-dimethyl-4-methyliminopyrimidine-2-thione (PubChem CID 57255514) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 1,3-dimethyl-4-methyliminopyrimidine-2-thione.

Molecular Properties

Compound Name1,3-dimethyl-4-methyliminopyrimidine-2-thione
PubChem CID57255514
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name1,3-dimethyl-4-methyliminopyrimidine-2-thione
SMILESC/N=c1\ccn(C)c(=S)n1C
InChIInChI=1S/C7H11N3S/c1-8-6-4-5-9(2)7(11)10(6)3/h4-5H,1-3H3/b8-6+
InChIKeyOBXHSOIMPWGVTI-SOFGYWHQSA-N
XLogP0.62
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Dimethylamino)-3-methyl-4(3H)-pyrimidinethione
CID 45118483
Pyrimidine, 4-dimethylamino-1,2-dihydro-1-methyl-2-thio-
CID 171384593
2(1H)-Pyrimidinethione, 4-amino-1-methyl-
CID 10419272
7-(Dimethylamino)-1-methylimidazo[1,2-c]pyrimidine-5-thione
CID 10013287
2,3-Dimethylpyrimidine-4-thione
CID 20678886
4-Amino-1-ethylpyrimidine-2-thione
CID 21809678
4-Imino-1,3-dimethylpyrimidine-2-thione
CID 21825990
4-Amino-1-propan-2-ylpyrimidine-2-thione
CID 139542970
4-Amino-1-methylpyrimidine-2-thione;ethane
CID 143278147
2-[(1,3-Dimethyl-2-sulfanylidenepyrimidin-4-ylidene)amino]acetonitrile
CID 21825991

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-methyliminopyrimidine-2-thione?
The IUPAC name of 1,3-dimethyl-4-methyliminopyrimidine-2-thione (CID 57255514) is 1,3-dimethyl-4-methyliminopyrimidine-2-thione.
What is the SMILES notation for 1,3-dimethyl-4-methyliminopyrimidine-2-thione?
The canonical SMILES for 1,3-dimethyl-4-methyliminopyrimidine-2-thione is C/N=c1\ccn(C)c(=S)n1C.
What is the InChIKey of 1,3-dimethyl-4-methyliminopyrimidine-2-thione?
The InChIKey is OBXHSOIMPWGVTI-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11N3S/c1-8-6-4-5-9(2)7(11)10(6)3/h4-5H,1-3H3/b8-6+.
What are the key properties of 1,3-dimethyl-4-methyliminopyrimidine-2-thione?
1,3-dimethyl-4-methyliminopyrimidine-2-thione has a molecular weight of 169.25 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-methyliminopyrimidine-2-thione is sourced from PubChem (CID 57255514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).