N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide

C16H19N5O3S — CID 109339662

IUPACN-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1
InChIInChI=1S/C16H19N5O3S/c1-2-8-19-16(22)14-10-15(21-11-20-14)18-9-7-12-3-5-13(6-4-12)25(17,23)24/h2-6,10-11H,1,7-9H2,(H,19,22)(H2,17,23,24)(H,18,20,21)
InChIKeyDATPROBCBSXKNB-UHFFFAOYSA-N
MW361.43 g/mol
LogP0.69
Rot. Bonds8

About N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide

N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109339662) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109339662
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1
InChIInChI=1S/C16H19N5O3S/c1-2-8-19-16(22)14-10-15(21-11-20-14)18-9-7-12-3-5-13(6-4-12)25(17,23)24/h2-6,10-11H,1,7-9H2,(H,19,22)(H2,17,23,24)(H,18,20,21)
InChIKeyDATPROBCBSXKNB-UHFFFAOYSA-N
XLogP0.69
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339651
N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109344268
6-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339858
6-(3-methylbutylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352290
N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109352286
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352293
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109101769
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112855301
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339467

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109339662) is N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide is C=CCNC(=O)c1cc(NCCc2ccc(S(N)(=O)=O)cc2)ncn1.
What is the InChIKey of N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is DATPROBCBSXKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-2-8-19-16(22)14-10-15(21-11-20-14)18-9-7-12-3-5-13(6-4-12)25(17,23)24/h2-6,10-11H,1,7-9H2,(H,19,22)(H2,17,23,24)(H,18,20,21).
What are the key properties of N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide?
N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109339662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).