4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione

C7H12N4S — CID 11819733

IUPAC4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione
SMILESCCNc1cc(N)nc(=S)n1C
InChIInChI=1S/C7H12N4S/c1-3-9-6-4-5(8)10-7(12)11(6)2/h4,9H,3H2,1-2H3,(H2,8,10,12)
InChIKeyJQZGQHCHPKZJJW-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.16
Rot. Bonds2

About 4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione

4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione (PubChem CID 11819733) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione
PubChem CID11819733
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione
SMILESCCNc1cc(N)nc(=S)n1C
InChIInChI=1S/C7H12N4S/c1-3-9-6-4-5(8)10-7(12)11(6)2/h4,9H,3H2,1-2H3,(H2,8,10,12)
InChIKeyJQZGQHCHPKZJJW-UHFFFAOYSA-N
XLogP1.16
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-7-(methylamino)imidazo[1,2-c]pyrimidine-5-thione
CID 10012864
7-Amino-1-methylimidazo[1,2-c]pyrimidine-5-thione
CID 10375032
2(1H)-Pyrimidinethione, 4,6-diamino-1-methyl-
CID 11008167
4,6-diamino-1-ethyl-2-(1H)-pyrimidinethione
CID 15200360
4,6-Diamino-1-propylpyrimidine-2(1H)-thione
CID 15200361
4,6-Diamino-1-prop-2-enylpyrimidine-2-thione
CID 15200363
4,6-Diamino-1-butylpyrimidine-2-thione
CID 19769305
4-Amino-1-methyl-6-(methylamino)pyrimidine-2-thione
CID 21809668
4-Amino-1-ethylpyrimidine-2-thione
CID 21809678
1-Ethyl-7-(methylamino)imidazo[1,2-c]pyrimidine-5-thione
CID 88459653
2-N',6-N-dimethyl-1H-pyrimidine-2,2,4,6-tetramine
CID 136445840
(4-Amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium
CID 137161393

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione?
The IUPAC name of 4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione (CID 11819733) is 4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione.
What is the SMILES notation for 4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione?
The canonical SMILES for 4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione is CCNc1cc(N)nc(=S)n1C.
What is the InChIKey of 4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione?
The InChIKey is JQZGQHCHPKZJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-3-9-6-4-5(8)10-7(12)11(6)2/h4,9H,3H2,1-2H3,(H2,8,10,12).
What are the key properties of 4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione?
4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione has a molecular weight of 184.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(ethylamino)-1-methylpyrimidine-2-thione is sourced from PubChem (CID 11819733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).