1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine

C17H24N4S — CID 10710543

IUPAC1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine
SMILESCCN(c1nc(C)cc(C)n1)c1ccc(N(C)C)cc1SC
InChIInChI=1S/C17H24N4S/c1-7-21(17-18-12(2)10-13(3)19-17)15-9-8-14(20(4)5)11-16(15)22-6/h8-11H,7H2,1-6H3
InChIKeyYGJOIWOQULEABB-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.04
Rot. Bonds5

About 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine

1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine (PubChem CID 10710543) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine
PubChem CID10710543
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine
SMILESCCN(c1nc(C)cc(C)n1)c1ccc(N(C)C)cc1SC
InChIInChI=1S/C17H24N4S/c1-7-21(17-18-12(2)10-13(3)19-17)15-9-8-14(20(4)5)11-16(15)22-6/h8-11H,7H2,1-6H3
InChIKeyYGJOIWOQULEABB-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine with MolForge

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Related Compounds

(4,6-Dimethyl-pyrimidin-2-yl)-ethyl-(4-isopropyl-2-methylsulfanyl-phenyl)-amine
CID 10686839
3-[(4,6-Dimethylpyrimidin-2-yl)thio]aniline
CID 2735403
N-(4,6-Dimethylpyrimidin-2-yl)-N-ethylbenzene-1,4-diamine
CID 2761111
(R)-2-(2-isopropyl-4-(3-(methylsulfonyl)phenyl)piperazin-1-yl)-4,6-dimethylpyrimidine
CID 137554408
6-methyl-N~4~-[2-(methylthio)phenyl]-2,4-pyrimidinediamine
CID 56919796
6-methyl-N~4~-[3-(methylthio)phenyl]-2,4-pyrimidinediamine
CID 56921955
1-(2-((6-(Dimethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)-3-(3-(methylthio)phenyl)urea
CID 45502765
4,6-Dimethyl-2-[3-(4-phenylpiperazin-1-yl)propylthio]-pyrimidine
CID 129777954
4,6-Dimethyl-2-[5-(4-phenylpiperazin-1-yl)pentylthio]-pyrimidine
CID 129779157
4,6-Dimethyl-2-[4-(4-phenylpiperazin-1-yl)butylthio]-pyrimidine
CID 129779236
4,6-Dimethyl-2-[6-(4-phenylpiperazin-1-yl)hexylthio]-pyrimidine
CID 129779251
4-N-[2-(difluoromethylsulfanyl)phenyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80747743

Frequently Asked Questions

What is the IUPAC name of 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine?
The IUPAC name of 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine (CID 10710543) is 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine is CCN(c1nc(C)cc(C)n1)c1ccc(N(C)C)cc1SC.
What is the InChIKey of 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine?
The InChIKey is YGJOIWOQULEABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-7-21(17-18-12(2)10-13(3)19-17)15-9-8-14(20(4)5)11-16(15)22-6/h8-11H,7H2,1-6H3.
What are the key properties of 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine?
1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine has a molecular weight of 316.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-4-N,4-N-dimethyl-2-methylsulfanylbenzene-1,4-diamine is sourced from PubChem (CID 10710543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).