2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide

C10H18N4O2S — CID 62149065

IUPAC2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C10H18N4O2S/c1-3-5-6-14(4-2)17(15,16)9-7-12-10(11)13-8-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeySGWCNVXHRDCNGJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.87
Rot. Bonds6

About 2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide

2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide (PubChem CID 62149065) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide
PubChem CID62149065
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C10H18N4O2S/c1-3-5-6-14(4-2)17(15,16)9-7-12-10(11)13-8-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeySGWCNVXHRDCNGJ-UHFFFAOYSA-N
XLogP0.87
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(tert-butylsulfonyl)-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-amine
CID 2778663
5-(Tert-butylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778670
US10058550, Example 313.0
CID 122701338
5-(Tert-butylsulfonyl)-2-methylpyrimidin-4-amine
CID 2778601
Pyrimidine-5-sulfonamide
CID 19091293
2-Chloropyrimidine-5-sulfonyl chloride
CID 43244366
5-(Isopropylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778668
5-(isopropylsulfonyl)-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-amine
CID 2819755
5-(2-Methylpropane-2-sulfonyl)pyrimidine-2,4-diamine
CID 2778671
2-Aminopyrimidine-5-sulfonyl chloride
CID 15885618
2-Amino-5-pyrimidinesulfonamide
CID 53420996
5-Methanesulfonylpyrimidin-2-amine
CID 57587959

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide (CID 62149065) is 2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide is CCCCN(CC)S(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide?
The InChIKey is SGWCNVXHRDCNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-5-6-14(4-2)17(15,16)9-7-12-10(11)13-8-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide?
2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62149065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).