2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide

C17H23N5O3S — CID 109248675

IUPAC2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCC(C)CNc1ncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C17H23N5O3S/c1-12(2)9-20-17-21-10-14(11-22-17)16(23)19-8-7-13-3-5-15(6-4-13)26(18,24)25/h3-6,10-12H,7-9H2,1-2H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
InChIKeyWUFMEVKUCGTELC-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.16
Rot. Bonds8

About 2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide

2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109248675) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109248675
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCC(C)CNc1ncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C17H23N5O3S/c1-12(2)9-20-17-21-10-14(11-22-17)16(23)19-8-7-13-3-5-15(6-4-13)26(18,24)25/h3-6,10-12H,7-9H2,1-2H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
InChIKeyWUFMEVKUCGTELC-UHFFFAOYSA-N
XLogP1.16
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 109247115
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248666
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112855301
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 109159783
6-(3-methylbutylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352290
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide (CID 109248675) is 2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide is CC(C)CNc1ncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of 2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is WUFMEVKUCGTELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-12(2)9-20-17-21-10-14(11-22-17)16(23)19-8-7-13-3-5-15(6-4-13)26(18,24)25/h3-6,10-12H,7-9H2,1-2H3,(H,19,23)(H2,18,24,25)(H,20,21,22).
What are the key properties of 2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide?
2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109248675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).