6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine

C9H16N4S — CID 80765356

IUPAC6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC)nc(SC)n1
InChIInChI=1S/C9H16N4S/c1-4-5-11-8-6-7(10-2)12-9(13-8)14-3/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyIZPCKOLVVZTDNG-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.06
Rot. Bonds5

About 6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine

6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 80765356) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
PubChem CID80765356
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC)nc(SC)n1
InChIInChI=1S/C9H16N4S/c1-4-5-11-8-6-7(10-2)12-9(13-8)14-3/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyIZPCKOLVVZTDNG-UHFFFAOYSA-N
XLogP2.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727
2-methylsulfanyl-4-N-(2-methylsulfinylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 113480695
6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809600
4-N,4-N-dimethyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80765397
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-[2-(3,5-difluorophenyl)ethyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80804289
6-N-methyl-2-methylsulfanyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433976
N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80788462
methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80798105
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine (CID 80765356) is 6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC)nc(SC)n1.
What is the InChIKey of 6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is IZPCKOLVVZTDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-4-5-11-8-6-7(10-2)12-9(13-8)14-3/h6H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine?
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 212.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80765356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).