2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide

C12H18N6O2S — CID 103011096

IUPAC2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCCc2ccnn2C)cn1
InChIInChI=1S/C12H18N6O2S/c1-3-13-12-14-8-11(9-15-12)21(19,20)17-7-5-10-4-6-16-18(10)2/h4,6,8-9,17H,3,5,7H2,1-2H3,(H,13,14,15)
InChIKeyUUUZREFIYIQCHV-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.16
Rot. Bonds7

About 2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide

2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide (PubChem CID 103011096) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide
PubChem CID103011096
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCCc2ccnn2C)cn1
InChIInChI=1S/C12H18N6O2S/c1-3-13-12-14-8-11(9-15-12)21(19,20)17-7-5-10-4-6-16-18(10)2/h4,6,8-9,17H,3,5,7H2,1-2H3,(H,13,14,15)
InChIKeyUUUZREFIYIQCHV-UHFFFAOYSA-N
XLogP0.16
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
CID 62144877
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 106408036
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407
2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106085775
2,5-dibromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693968
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216
2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea
CID 83115138
3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693945
N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62143309
3-cyano-4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693958
2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 103008087

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide (CID 103011096) is 2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NCCc2ccnn2C)cn1.
What is the InChIKey of 2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide?
The InChIKey is UUUZREFIYIQCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-3-13-12-14-8-11(9-15-12)21(19,20)17-7-5-10-4-6-16-18(10)2/h4,6,8-9,17H,3,5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide?
2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 103011096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).