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

C10H18N4O2S — CID 80790691

IUPAC4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCS(C)(=O)=O)ncn1
InChIInChI=1S/C10H18N4O2S/c1-3-4-11-9-7-10(14-8-13-9)12-5-6-17(2,15)16/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyOKCVUKHRBIKHBJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.75
Rot. Bonds7

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

4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80790691) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80790691
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCS(C)(=O)=O)ncn1
InChIInChI=1S/C10H18N4O2S/c1-3-4-11-9-7-10(14-8-13-9)12-5-6-17(2,15)16/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyOKCVUKHRBIKHBJ-UHFFFAOYSA-N
XLogP0.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791910
5-bromo-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072014
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
4-N-(2-methylsulfonylethyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80790474
N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343096
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 114176091
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine
CID 80874772
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine (CID 80790691) is 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCS(C)(=O)=O)ncn1.
What is the InChIKey of 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is OKCVUKHRBIKHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-4-11-9-7-10(14-8-13-9)12-5-6-17(2,15)16/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 258.35 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80790691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).