6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide

C18H25N5O3S — CID 25182905

IUPAC6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1
InChIInChI=1S/C18H25N5O3S/c1-4-8-23(9-5-2)17-11-16(20-12-21-17)18(24)22-15-7-6-14(10-13(15)3)27(19,25)26/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24)(H2,19,25,26)
InChIKeyMHHFJYABEVJNEG-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.31
Rot. Bonds8

About 6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide

6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide (PubChem CID 25182905) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
PubChem CID25182905
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1
InChIInChI=1S/C18H25N5O3S/c1-4-8-23(9-5-2)17-11-16(20-12-21-17)18(24)22-15-7-6-14(10-13(15)3)27(19,25)26/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24)(H2,19,25,26)
InChIKeyMHHFJYABEVJNEG-UHFFFAOYSA-N
XLogP2.31
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide (CID 25182905) is 6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide is CCCN(CCC)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1.
What is the InChIKey of 6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
The InChIKey is MHHFJYABEVJNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-4-8-23(9-5-2)17-11-16(20-12-21-17)18(24)22-15-7-6-14(10-13(15)3)27(19,25)26/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24)(H2,19,25,26).
What are the key properties of 6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide?
6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).