2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine

C8H14N4O2S — CID 80790250

IUPAC2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-9-8-11-4-3-7(12-8)10-5-6-15(2,13)14/h3-4H,5-6H2,1-2H3,(H2,9,10,11,12)
InChIKeySLQAKLAQKSEPHX-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.03
Rot. Bonds5

About 2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine (PubChem CID 80790250) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
PubChem CID80790250
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-9-8-11-4-3-7(12-8)10-5-6-15(2,13)14/h3-4H,5-6H2,1-2H3,(H2,9,10,11,12)
InChIKeySLQAKLAQKSEPHX-UHFFFAOYSA-N
XLogP-0.03
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787004
2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80788132
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
N-(2-methylsulfonylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78955171
2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523201
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
CID 80827502
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893
N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 60919263
2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 114174041
N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332352
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531
2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114516993

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine (CID 80790250) is 2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine is CNc1nccc(NCCS(C)(=O)=O)n1.
What is the InChIKey of 2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine?
The InChIKey is SLQAKLAQKSEPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-9-8-11-4-3-7(12-8)10-5-6-15(2,13)14/h3-4H,5-6H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine has a molecular weight of 230.29 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80790250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).