2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide

C11H13N5O2S — CID 106937084

IUPAC2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C11H13N5O2S/c1-2-16(9-3-5-13-6-4-9)19(17,18)10-7-14-11(12)15-8-10/h3-8H,2H2,1H3,(H2,12,14,15)
InChIKeyMERPYWBGBFCKEP-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.67
Rot. Bonds4

About 2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide

2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide (PubChem CID 106937084) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
PubChem CID106937084
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC Name2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C11H13N5O2S/c1-2-16(9-3-5-13-6-4-9)19(17,18)10-7-14-11(12)15-8-10/h3-8H,2H2,1H3,(H2,12,14,15)
InChIKeyMERPYWBGBFCKEP-UHFFFAOYSA-N
XLogP0.67
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide
CID 62159440
6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 113258214
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934536
4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide
CID 106934579
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934561
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422496
2-amino-N-ethyl-N-(4-methylphenyl)pyridine-4-sulfonamide
CID 62158760
N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936691
2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide
CID 62149065
N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide
CID 4105425

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide (CID 106937084) is 2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide is CCN(c1ccncc1)S(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide?
The InChIKey is MERPYWBGBFCKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-2-16(9-3-5-13-6-4-9)19(17,18)10-7-14-11(12)15-8-10/h3-8H,2H2,1H3,(H2,12,14,15).
What are the key properties of 2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide?
2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide has a molecular weight of 279.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 106937084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).