4-(dimethylamino)-1-methylpyrimidine-2-thione

C7H11N3S — CID 171384593

IUPAC4-(dimethylamino)-1-methylpyrimidine-2-thione
SMILESCN(C)c1ccn(C)c(=S)n1
InChIInChI=1S/C7H11N3S/c1-9(2)6-4-5-10(3)7(11)8-6/h4-5H,1-3H3
InChIKeySLSDGGYJWSXAQN-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.22
Rot. Bonds1

About 4-(dimethylamino)-1-methylpyrimidine-2-thione

4-(dimethylamino)-1-methylpyrimidine-2-thione (PubChem CID 171384593) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 4-(dimethylamino)-1-methylpyrimidine-2-thione.

Molecular Properties

Compound Name4-(dimethylamino)-1-methylpyrimidine-2-thione
PubChem CID171384593
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name4-(dimethylamino)-1-methylpyrimidine-2-thione
SMILESCN(C)c1ccn(C)c(=S)n1
InChIInChI=1S/C7H11N3S/c1-9(2)6-4-5-10(3)7(11)8-6/h4-5H,1-3H3
InChIKeySLSDGGYJWSXAQN-UHFFFAOYSA-N
XLogP1.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.22
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

Pyrimidine, 4-dimethylamino-1,2-dihydro-1-methyl-2-methylimino-
CID 171384672
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
1,3-Dimethyl-4-methyliminopyrimidine-2-thione
CID 57255514
4-Amino-1-propan-2-ylpyrimidine-2-thione
CID 139542970
4-(dimethylamino)-2H-pyrimidine-1-carbonitrile
CID 141207566
N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide
CID 143258397
4-Amino-1-methylpyrimidine-2-thione;ethane
CID 143278147
N'-ethenyl-N,N-dimethylprop-2-enimidamide
CID 143598460

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-methylpyrimidine-2-thione?
The IUPAC name of 4-(dimethylamino)-1-methylpyrimidine-2-thione (CID 171384593) is 4-(dimethylamino)-1-methylpyrimidine-2-thione.
What is the SMILES notation for 4-(dimethylamino)-1-methylpyrimidine-2-thione?
The canonical SMILES for 4-(dimethylamino)-1-methylpyrimidine-2-thione is CN(C)c1ccn(C)c(=S)n1.
What is the InChIKey of 4-(dimethylamino)-1-methylpyrimidine-2-thione?
The InChIKey is SLSDGGYJWSXAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-9(2)6-4-5-10(3)7(11)8-6/h4-5H,1-3H3.
What are the key properties of 4-(dimethylamino)-1-methylpyrimidine-2-thione?
4-(dimethylamino)-1-methylpyrimidine-2-thione has a molecular weight of 169.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-methylpyrimidine-2-thione is sourced from PubChem (CID 171384593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).