4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine

C6H11N5S — CID 91618748

IUPAC4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine
SMILESCNc1nc(N)nc(SC)c1N
InChIInChI=1S/C6H11N5S/c1-9-4-3(7)5(12-2)11-6(8)10-4/h7H2,1-2H3,(H3,8,9,10,11)
InChIKeyAPIYLFBPMXQUMK-UHFFFAOYSA-N
MW185.26 g/mol
LogP0.40
Rot. Bonds2

About 4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine

4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine (PubChem CID 91618748) has the molecular formula C6H11N5S and a molecular weight of 185.26 g/mol. Its IUPAC name is 4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine
PubChem CID91618748
Molecular FormulaC6H11N5S
Molecular Weight185.26 g/mol
Exact Mass185.07
IUPAC Name4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine
SMILESCNc1nc(N)nc(SC)c1N
InChIInChI=1S/C6H11N5S/c1-9-4-3(7)5(12-2)11-6(8)10-4/h7H2,1-2H3,(H3,8,9,10,11)
InChIKeyAPIYLFBPMXQUMK-UHFFFAOYSA-N
XLogP0.40
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-(dimethylamino)-
CID 3043316
4,5,6-Triamino-2-(methylsulfanyl)pyrimidine
CID 229266
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylthio-
CID 216614
7H-Pyrimido(4,5-b)(1,4)thiazine, 4,6-diamino-
CID 3043314
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylamino-
CID 3043315
7H-Pyrimido(4,5-b)(1,4)thiazine, 2,4,6-triamino-
CID 3049965
2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
6-Methylsulfanyl-7,9-dihydropurine-8-thione
CID 3792394
Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
Pyrimidine, 5-formamido-2-methyl-4-methylamino-6-methylthio-
CID 171384369
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine?
The IUPAC name of 4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine (CID 91618748) is 4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine.
What is the SMILES notation for 4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine?
The canonical SMILES for 4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine is CNc1nc(N)nc(SC)c1N.
What is the InChIKey of 4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine?
The InChIKey is APIYLFBPMXQUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5S/c1-9-4-3(7)5(12-2)11-6(8)10-4/h7H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine?
4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine has a molecular weight of 185.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine is sourced from PubChem (CID 91618748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).