2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide

C8H14N4O3S — CID 50982075

IUPAC2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(OC)ncn1
InChIInChI=1S/C8H14N4O3S/c1-9-16(13,14)4-3-10-7-5-8(15-2)12-6-11-7/h5-6,9H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyUTCNQRVPDMTNIU-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.55
Rot. Bonds6

About 2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide

2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 50982075) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID50982075
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(OC)ncn1
InChIInChI=1S/C8H14N4O3S/c1-9-16(13,14)4-3-10-7-5-8(15-2)12-6-11-7/h5-6,9H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyUTCNQRVPDMTNIU-UHFFFAOYSA-N
XLogP-0.55
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 50982075) is 2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1cc(OC)ncn1.
What is the InChIKey of 2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is UTCNQRVPDMTNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-9-16(13,14)4-3-10-7-5-8(15-2)12-6-11-7/h5-6,9H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxypyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 50982075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).