6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine

C10H18N4O2S2 — CID 80883124

IUPAC6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(SCCS(C)(=O)=O)nc(N)n1
InChIInChI=1S/C10H18N4O2S2/c1-3-4-12-8-7-9(14-10(11)13-8)17-5-6-18(2,15)16/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeySCIQRKKHRXHIBL-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.02
Rot. Bonds7

About 6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine

6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80883124) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID80883124
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(SCCS(C)(=O)=O)nc(N)n1
InChIInChI=1S/C10H18N4O2S2/c1-3-4-12-8-7-9(14-10(11)13-8)17-5-6-18(2,15)16/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeySCIQRKKHRXHIBL-UHFFFAOYSA-N
XLogP1.02
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
[2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979482
2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791910
2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80886667
4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine
CID 80887611
4-N-(3-methylsulfonylpropyl)pyrimidine-2,4,6-triamine
CID 80812862
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-methyl-6-pentylsulfanylpyrimidine-2,4-diamine
CID 107765242
6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80890105
6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 107766055
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine
CID 80888805
methyl 3-[2-ethyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropanoate
CID 80937339

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine (CID 80883124) is 6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(SCCS(C)(=O)=O)nc(N)n1.
What is the InChIKey of 6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is SCIQRKKHRXHIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-3-4-12-8-7-9(14-10(11)13-8)17-5-6-18(2,15)16/h7H,3-6H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine?
6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 290.41 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80883124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).