2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide

C23H34N6O5S — CID 143341027

IUPAC2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(OCCN2CCOCC2)cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C23H34N6O5S/c1-3-8-29(9-4-2)23-26-20(17-21(27-23)34-15-12-28-10-13-33-14-11-28)22(30)25-18-6-5-7-19(16-18)35(24,31)32/h5-7,16-17H,3-4,8-15H2,1-2H3,(H,25,30)(H2,24,31,32)
InChIKeyZYBFRBUNETYXBV-UHFFFAOYSA-N
MW506.63 g/mol
LogP1.71
Rot. Bonds12

About 2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide

2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide (PubChem CID 143341027) has the molecular formula C23H34N6O5S and a molecular weight of 506.63 g/mol. Its IUPAC name is 2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide
PubChem CID143341027
Molecular FormulaC23H34N6O5S
Molecular Weight506.63 g/mol
Exact Mass506.23
IUPAC Name2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(OCCN2CCOCC2)cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C23H34N6O5S/c1-3-8-29(9-4-2)23-26-20(17-21(27-23)34-15-12-28-10-13-33-14-11-28)22(30)25-18-6-5-7-19(16-18)35(24,31)32/h5-7,16-17H,3-4,8-15H2,1-2H3,(H,25,30)(H2,24,31,32)
InChIKeyZYBFRBUNETYXBV-UHFFFAOYSA-N
XLogP1.71
TPSA139.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 143450222
N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258746
N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759
N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 87482089
N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 91415700
6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 71193788
3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 89163631
3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 56526295
N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11634188
N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 58808808
ethane;3-methanimidoyl-N-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341036

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide (CID 143341027) is 2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide is CCCN(CCC)c1nc(OCCN2CCOCC2)cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)n1.
What is the InChIKey of 2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZYBFRBUNETYXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O5S/c1-3-8-29(9-4-2)23-26-20(17-21(27-23)34-15-12-28-10-13-33-14-11-28)22(30)25-18-6-5-7-19(16-18)35(24,31)32/h5-7,16-17H,3-4,8-15H2,1-2H3,(H,25,30)(H2,24,31,32).
What are the key properties of 2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide?
2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide has a molecular weight of 506.63 g/mol, XLogP of 1.71, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 143341027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).