4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine

C7H12N4S — CID 86178802

IUPAC4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine
SMILESCNc1nc(C)nc(SC)c1N
InChIInChI=1S/C7H12N4S/c1-4-10-6(9-2)5(8)7(11-4)12-3/h8H2,1-3H3,(H,9,10,11)
InChIKeyAQIYBMPBNMBUCW-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.13
Rot. Bonds2

About 4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine

4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine (PubChem CID 86178802) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine
PubChem CID86178802
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine
SMILESCNc1nc(C)nc(SC)c1N
InChIInChI=1S/C7H12N4S/c1-4-10-6(9-2)5(8)7(11-4)12-3/h8H2,1-3H3,(H,9,10,11)
InChIKeyAQIYBMPBNMBUCW-UHFFFAOYSA-N
XLogP1.13
TPSA63.83 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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Methyl-6-(methylamino)-5-nitropyrimidin-4-yl] thiocyanate
CID 142762704
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-(dimethylamino)-
CID 3043316
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
Pyrimidine, 5-formamido-2-methyl-4-methylamino-6-methylthio-
CID 171384369
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792
9-Ethyl-2,6-bis(ethylthio)-8,9-dihydro-7h-purine-8-thiol
CID 135397807

Frequently Asked Questions

What is the IUPAC name of 4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine?
The IUPAC name of 4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine (CID 86178802) is 4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine is CNc1nc(C)nc(SC)c1N.
What is the InChIKey of 4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine?
The InChIKey is AQIYBMPBNMBUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-4-10-6(9-2)5(8)7(11-4)12-3/h8H2,1-3H3,(H,9,10,11).
What are the key properties of 4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine?
4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine has a molecular weight of 184.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-dimethyl-6-methylsulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 86178802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).