6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine

C9H15ClN4O3S — CID 133354069

IUPAC6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine
SMILESCS(=O)(=O)CCOCCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H15ClN4O3S/c1-18(15,16)5-4-17-3-2-12-8-6-7(10)13-9(11)14-8/h6H,2-5H2,1H3,(H3,11,12,13,14)
InChIKeyPQZRZRRCBOCRSR-UHFFFAOYSA-N
MW294.76 g/mol
LogP0.19
Rot. Bonds7

About 6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine

6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine (PubChem CID 133354069) has the molecular formula C9H15ClN4O3S and a molecular weight of 294.76 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine
PubChem CID133354069
Molecular FormulaC9H15ClN4O3S
Molecular Weight294.76 g/mol
Exact Mass294.06
IUPAC Name6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine
SMILESCS(=O)(=O)CCOCCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H15ClN4O3S/c1-18(15,16)5-4-17-3-2-12-8-6-7(10)13-9(11)14-8/h6H,2-5H2,1H3,(H3,11,12,13,14)
InChIKeyPQZRZRRCBOCRSR-UHFFFAOYSA-N
XLogP0.19
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
CID 155896810
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine
CID 71978665
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine
CID 102809402
6-chloro-4-N-[2-(2-methylphenoxy)ethyl]pyrimidine-2,4-diamine
CID 47298970
4-N-(3-methylsulfonylpropyl)pyrimidine-2,4,6-triamine
CID 80812862
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
6-chloro-4-N-[(E)-pent-3-enyl]pyrimidine-2,4-diamine
CID 103669525
2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825945
4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565117
6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
CID 103463549

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine (CID 133354069) is 6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine is CS(=O)(=O)CCOCCNc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine?
The InChIKey is PQZRZRRCBOCRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O3S/c1-18(15,16)5-4-17-3-2-12-8-6-7(10)13-9(11)14-8/h6H,2-5H2,1H3,(H3,11,12,13,14).
What are the key properties of 6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine has a molecular weight of 294.76 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 133354069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).