2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine

C16H22N4S — CID 107647170

IUPAC2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(Nc2ccccc2SC)c1C
InChIInChI=1S/C16H22N4S/c1-5-10-17-15-11(2)16(19-12(3)18-15)20-13-8-6-7-9-14(13)21-4/h6-9H,5,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyAUZQADJPTBNSIW-UHFFFAOYSA-N
MW302.45 g/mol
LogP4.38
Rot. Bonds6

About 2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine

2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 107647170) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID107647170
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(Nc2ccccc2SC)c1C
InChIInChI=1S/C16H22N4S/c1-5-10-17-15-11(2)16(19-12(3)18-15)20-13-8-6-7-9-14(13)21-4/h6-9H,5,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyAUZQADJPTBNSIW-UHFFFAOYSA-N
XLogP4.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80783110
4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80806935
4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 106761016
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
CID 80870307
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 107638626
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
4-N,4-N,2,5-tetramethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766122
4-N-(3-bromo-4-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80838341

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine (CID 107647170) is 2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(Nc2ccccc2SC)c1C.
What is the InChIKey of 2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is AUZQADJPTBNSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-5-10-17-15-11(2)16(19-12(3)18-15)20-13-8-6-7-9-14(13)21-4/h6-9H,5,10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 302.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 107647170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).