6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine

C10H14ClN5O2S — CID 87163994

IUPAC6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCS(=O)(=O)CCN1C(N)=Nc2ccc(Cl)nc2C1N
InChIInChI=1S/C10H14ClN5O2S/c1-19(17,18)5-4-16-9(12)8-6(14-10(16)13)2-3-7(11)15-8/h2-3,9H,4-5,12H2,1H3,(H2,13,14)
InChIKeyICAPDIRFBWCSHC-UHFFFAOYSA-N
MW303.78 g/mol
LogP-0.00
Rot. Bonds3

About 6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine

6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 87163994) has the molecular formula C10H14ClN5O2S and a molecular weight of 303.78 g/mol. Its IUPAC name is 6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID87163994
Molecular FormulaC10H14ClN5O2S
Molecular Weight303.78 g/mol
Exact Mass303.06
IUPAC Name6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCS(=O)(=O)CCN1C(N)=Nc2ccc(Cl)nc2C1N
InChIInChI=1S/C10H14ClN5O2S/c1-19(17,18)5-4-16-9(12)8-6(14-10(16)13)2-3-7(11)15-8/h2-3,9H,4-5,12H2,1H3,(H2,13,14)
InChIKeyICAPDIRFBWCSHC-UHFFFAOYSA-N
XLogP-0.00
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine (CID 87163994) is 6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine is CS(=O)(=O)CCN1C(N)=Nc2ccc(Cl)nc2C1N.
What is the InChIKey of 6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is ICAPDIRFBWCSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2S/c1-19(17,18)5-4-16-9(12)8-6(14-10(16)13)2-3-7(11)15-8/h2-3,9H,4-5,12H2,1H3,(H2,13,14).
What are the key properties of 6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine?
6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 303.78 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methylsulfonylethyl)-4H-pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 87163994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).