4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione

C8H14N4S — CID 83872026

IUPAC4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione
SMILESCNCc1cc(N(C)C)nc(=S)[nH]1
InChIInChI=1S/C8H14N4S/c1-9-5-6-4-7(12(2)3)11-8(13)10-6/h4,9H,5H2,1-3H3,(H,10,11,13)
InChIKeyBAXBYSLIDNHTHD-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.92
Rot. Bonds3

About 4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione

4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione (PubChem CID 83872026) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione
PubChem CID83872026
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione
SMILESCNCc1cc(N(C)C)nc(=S)[nH]1
InChIInChI=1S/C8H14N4S/c1-9-5-6-4-7(12(2)3)11-8(13)10-6/h4,9H,5H2,1-3H3,(H,10,11,13)
InChIKeyBAXBYSLIDNHTHD-UHFFFAOYSA-N
XLogP0.92
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z)-1-methylpyridin-2(1H)-ylidene]-3-prop-2-en-1-ylthiourea
CID 5591715
4-Methyl-6-(4-methylpiperazinyl)pyrimidine-2-thiol
CID 2322592
Pyrimidine, 5-amino-2-mercapto-4-methyl-6-methylamino-
CID 129929297
4-Dimethylamino-2-mercapto-6-methylpyrimidine
CID 121597058
1-(1-Methyl-2-pyridinylidene)-3-prop-2-enylthiourea
CID 1861720
5-Amino-4-dimethylamino-6-methyl-mercaptopyrimidine
CID 12257267
4-Amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione
CID 88894721
6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione
CID 89041658
6-methyl-4-(methylamino)-1H-pyrimidine-2-thione
CID 121597059
4-(ethylamino)-6-methyl-1H-pyrimidine-2-thione
CID 121597060
4-Amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane
CID 143758237
6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidine-2-thione
CID 2322591

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione?
The IUPAC name of 4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione (CID 83872026) is 4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione is CNCc1cc(N(C)C)nc(=S)[nH]1.
What is the InChIKey of 4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione?
The InChIKey is BAXBYSLIDNHTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-9-5-6-4-7(12(2)3)11-8(13)10-6/h4,9H,5H2,1-3H3,(H,10,11,13).
What are the key properties of 4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione?
4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione has a molecular weight of 198.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 83872026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).