6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine

C15H20N4S — CID 107647171

IUPAC6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2ccccc2SC)c1CC
InChIInChI=1S/C15H20N4S/c1-4-11-14(16-5-2)17-10-18-15(11)19-12-8-6-7-9-13(12)20-3/h6-10H,4-5H2,1-3H3,(H2,16,17,18,19)
InChIKeyDEOCJEBNKOPDSD-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.94
Rot. Bonds6

About 6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine

6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine (PubChem CID 107647171) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
PubChem CID107647171
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2ccccc2SC)c1CC
InChIInChI=1S/C15H20N4S/c1-4-11-14(16-5-2)17-10-18-15(11)19-12-8-6-7-9-13(12)20-3/h6-10H,4-5H2,1-3H3,(H2,16,17,18,19)
InChIKeyDEOCJEBNKOPDSD-UHFFFAOYSA-N
XLogP3.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647224
4-N-(2,3-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80797806
4-N-[2-(difluoromethylsulfanyl)phenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80748948
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755419
6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768641
4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine
CID 107643432
5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760868
6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
CID 80805047
[5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine
CID 80925890
4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80798019

Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine (CID 107647171) is 6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine is CCNc1ncnc(Nc2ccccc2SC)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine?
The InChIKey is DEOCJEBNKOPDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-4-11-14(16-5-2)17-10-18-15(11)19-12-8-6-7-9-13(12)20-3/h6-10H,4-5H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 107647171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).