4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine

C7H12N4O2S — CID 79915723

IUPAC4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine
SMILESCS(=O)(=O)CCNc1ncncc1N
InChIInChI=1S/C7H12N4O2S/c1-14(12,13)3-2-10-7-6(8)4-9-5-11-7/h4-5H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyMSHJOJUONTVFGZ-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.48
Rot. Bonds4

About 4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine

4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine (PubChem CID 79915723) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine
PubChem CID79915723
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine
SMILESCS(=O)(=O)CCNc1ncncc1N
InChIInChI=1S/C7H12N4O2S/c1-14(12,13)3-2-10-7-6(8)4-9-5-11-7/h4-5H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyMSHJOJUONTVFGZ-UHFFFAOYSA-N
XLogP-0.48
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N4-methylpyrimidine-4,5-diamine
CID 12523164
2-Methanesulfonylpyrimidin-5-amine
CID 549170
Pyrimidine, 4,5-diamino-2-methylthio-
CID 23422084
4-N-(propan-2-yl)pyrimidine-4,5-diamine
CID 21820835
N4,2-Dimethylpyrimidine-4,5-diamine
CID 24903826
Pyrimidine, 4,5-bismethylamino-
CID 23422083
Pyrimidine, 5-amino-2-dimethylamino-4-methylamino-
CID 129929682
2-N-methylpyrimidine-2,4,5-triamine
CID 255375
N-5-Pyrimidinylmethanesulfonamide
CID 104856624
5-bromo-4-N-methyl-2-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
CID 91650182
N-[2-(dimethylamino)pyrimidin-5-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 121536738
5-(methylideneamino)-N-(2-methylsulfanylethyl)-2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-4-amine
CID 155107416

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine (CID 79915723) is 4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine is CS(=O)(=O)CCNc1ncncc1N.
What is the InChIKey of 4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine?
The InChIKey is MSHJOJUONTVFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-14(12,13)3-2-10-7-6(8)4-9-5-11-7/h4-5H,2-3,8H2,1H3,(H,9,10,11).
What are the key properties of 4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine?
4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine has a molecular weight of 216.27 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79915723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).