2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine

C9H16N4S — CID 166001027

IUPAC2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCCSc1nc(NC)cc(N(C)C)n1
InChIInChI=1S/C9H16N4S/c1-5-14-9-11-7(10-2)6-8(12-9)13(3)4/h6H,5H2,1-4H3,(H,10,11,12)
InChIKeyXEGSDZKLIWBNTE-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.70
Rot. Bonds4

About 2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine

2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine (PubChem CID 166001027) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine
PubChem CID166001027
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCCSc1nc(NC)cc(N(C)C)n1
InChIInChI=1S/C9H16N4S/c1-5-14-9-11-7(10-2)6-8(12-9)13(3)4/h6H,5H2,1-4H3,(H,10,11,12)
InChIKeyXEGSDZKLIWBNTE-UHFFFAOYSA-N
XLogP1.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methylthio-pyrimidine-2,4-diamine
CID 235893
2-Methylthiopyrimidine-4,6-diamine
CID 70497
4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine
CID 79006691
6-chloro-N-methyl-2-(methylsulfanyl)-4-pyrimidinamine
CID 1488171
2,2'-(Butane-1,4-diyldisulfanediyl)bis(6-imino-1,6-dihydropyrimidin-4-amine)
CID 2187682
N4,N4-dimethylpyrimidine-2,4,6-triamine
CID 23423800
2-(2-Piperidin-1-yl-ethylsulfanyl)-pyrimidine-4,6-diamine
CID 649133
2-(4,6-Diaminopyrimidin-2-yl)sulfanylacetamide
CID 459830
[(4,6-Diamino-2-pyrimidinyl)sulfanyl]acetonitrile
CID 3167959
4,6-Pyrimidinediamine, 2,2'-(1,5-pentanediylbis(thio))bis-
CID 13285555
N4,N4-dimethyl-2-(methylthio)pyrimidine-4,6-diamine
CID 816994
4-Pyrimidinamine, 2-(butylthio)-6-chloro-
CID 478115

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine (CID 166001027) is 2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine is CCSc1nc(NC)cc(N(C)C)n1.
What is the InChIKey of 2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine?
The InChIKey is XEGSDZKLIWBNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-5-14-9-11-7(10-2)6-8(12-9)13(3)4/h6H,5H2,1-4H3,(H,10,11,12).
What are the key properties of 2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine?
2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine has a molecular weight of 212.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 166001027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).