2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide

C8H14N4O3S — CID 102700480

IUPAC2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C8H14N4O3S/c1-6(15-2)3-12-16(13,14)7-4-10-8(9)11-5-7/h4-6,12H,3H2,1-2H3,(H2,9,10,11)
InChIKeyOYHWJSKSEDCZTB-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.63
Rot. Bonds5

About 2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide

2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide (PubChem CID 102700480) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide
PubChem CID102700480
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C8H14N4O3S/c1-6(15-2)3-12-16(13,14)7-4-10-8(9)11-5-7/h4-6,12H,3H2,1-2H3,(H2,9,10,11)
InChIKeyOYHWJSKSEDCZTB-UHFFFAOYSA-N
XLogP-0.63
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
2-amino-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62150881
2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 62162959
2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide
CID 102700466
3-amino-5-fluoro-4-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102694383
2-amino-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 62150401
2-chloro-N-(2-methoxypropyl)-1,3-thiazole-5-sulfonamide
CID 102697806
2-amino-N-[2-(dimethylamino)ethyl]pyrimidine-5-sulfonamide
CID 62149164
5-(aminomethyl)-N-(2-methoxypropyl)thiophene-3-sulfonamide
CID 102701613
3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide
CID 102694355
2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide (CID 102700480) is 2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide is COC(C)CNS(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide?
The InChIKey is OYHWJSKSEDCZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-6(15-2)3-12-16(13,14)7-4-10-8(9)11-5-7/h4-6,12H,3H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide?
2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 102700480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).