4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide

C8H12N4S — CID 130541208

IUPAC4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide
SMILESCc1ncc(C(N)=S)c(N(C)C)n1
InChIInChI=1S/C8H12N4S/c1-5-10-4-6(7(9)13)8(11-5)12(2)3/h4H,1-3H3,(H2,9,13)
InChIKeyZQOHDKSWOVOONO-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.49
Rot. Bonds2

About 4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide

4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide (PubChem CID 130541208) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide
PubChem CID130541208
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide
SMILESCc1ncc(C(N)=S)c(N(C)C)n1
InChIInChI=1S/C8H12N4S/c1-5-10-4-6(7(9)13)8(11-5)12(2)3/h4H,1-3H3,(H2,9,13)
InChIKeyZQOHDKSWOVOONO-UHFFFAOYSA-N
XLogP0.49
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.49
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

4-(dimethylamino)-2-methylpyrimidine-5-carboxamide
CID 23423588
2-[4-(dimethylamino)-2-methylpyrimidin-5-yl]-N'-hydroxyethanimidamide
CID 83884463
4-(2-cyclopropylpropan-2-ylamino)-2-methylpyrimidine-5-carbothioamide
CID 112755520
4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide
CID 112755406
4-[(1-methoxycyclobutyl)methylamino]-2-methylpyrimidine-5-carbothioamide
CID 112755525
4-tert-butyl-2-methylpyrimidine-5-carboxamide
CID 89417187
4-(dimethylamino)quinoline-3-carbothioamide
CID 43669612
N,N,2,4-tetramethylpyrimidine-5-carboxamide
CID 126992090
4-(dimethylamino)-2-ethylpyrimidine-5-carboximidamide
CID 83878494
ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate
CID 67099878
4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148774
4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2-methylpyrimidine-5-carboximidamide
CID 112755662

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide?
The IUPAC name of 4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide (CID 130541208) is 4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide.
What is the SMILES notation for 4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide?
The canonical SMILES for 4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide is Cc1ncc(C(N)=S)c(N(C)C)n1.
What is the InChIKey of 4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide?
The InChIKey is ZQOHDKSWOVOONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-5-10-4-6(7(9)13)8(11-5)12(2)3/h4H,1-3H3,(H2,9,13).
What are the key properties of 4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide?
4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide has a molecular weight of 196.28 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylpyrimidine-5-carbothioamide is sourced from PubChem (CID 130541208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).