4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

C8H12N4O2S — CID 143852557

IUPAC4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCS(=O)(=O)c1nc(N)nc2c1CNCC2
InChIInChI=1S/C8H12N4O2S/c1-15(13,14)7-5-4-10-3-2-6(5)11-8(9)12-7/h10H,2-4H2,1H3,(H2,9,11,12)
InChIKeyXMZKJSWBWPUOIC-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.89
Rot. Bonds1

About 4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (PubChem CID 143852557) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
PubChem CID143852557
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCS(=O)(=O)c1nc(N)nc2c1CNCC2
InChIInChI=1S/C8H12N4O2S/c1-15(13,14)7-5-4-10-3-2-6(5)11-8(9)12-7/h10H,2-4H2,1H3,(H2,9,11,12)
InChIKeyXMZKJSWBWPUOIC-UHFFFAOYSA-N
XLogP-0.89
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (CID 143852557) is 4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is CS(=O)(=O)c1nc(N)nc2c1CNCC2.
What is the InChIKey of 4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is XMZKJSWBWPUOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-15(13,14)7-5-4-10-3-2-6(5)11-8(9)12-7/h10H,2-4H2,1H3,(H2,9,11,12).
What are the key properties of 4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 228.28 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 143852557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).