2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

C17H21N5O3S — CID 109319696

IUPAC2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc(NC2CC2)n1
InChIInChI=1S/C17H21N5O3S/c1-11-10-15(22-17(20-11)21-13-4-5-13)16(23)19-9-8-12-2-6-14(7-3-12)26(18,24)25/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
InChIKeyOBVAWRRUKQJCJM-UHFFFAOYSA-N
MW375.45 g/mol
LogP0.98
Rot. Bonds7

About 2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109319696) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109319696
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc(NC2CC2)n1
InChIInChI=1S/C17H21N5O3S/c1-11-10-15(22-17(20-11)21-13-4-5-13)16(23)19-9-8-12-2-6-14(7-3-12)26(18,24)25/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
InChIKeyOBVAWRRUKQJCJM-UHFFFAOYSA-N
XLogP0.98
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109323530
2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109331655
2-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330861
N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319665
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109319676
2-(cyclohexylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319065
N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109320611
6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109364662
2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323416
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332847
5,7-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46585831

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide (CID 109319696) is 2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc(NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is OBVAWRRUKQJCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-11-10-15(22-17(20-11)21-13-4-5-13)16(23)19-9-8-12-2-6-14(7-3-12)26(18,24)25/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22).
What are the key properties of 2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109319696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).