5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide

C12H21N5O3S — CID 62179987

IUPAC5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C12H21N5O3S/c1-8(2)11-16-7-9(14-3)10(17-11)12(18)15-5-4-6-21(13,19)20/h7-8,14H,4-6H2,1-3H3,(H,15,18)(H2,13,19,20)
InChIKeySNEQQRGNJOMFDE-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.05
Rot. Bonds7

About 5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide

5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide (PubChem CID 62179987) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide
PubChem CID62179987
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C12H21N5O3S/c1-8(2)11-16-7-9(14-3)10(17-11)12(18)15-5-4-6-21(13,19)20/h7-8,14H,4-6H2,1-3H3,(H,15,18)(H2,13,19,20)
InChIKeySNEQQRGNJOMFDE-UHFFFAOYSA-N
XLogP0.05
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82940841
5-amino-2-propan-2-yl-N-(2-sulfamoylethyl)pyrimidine-4-carboxamide
CID 62155667
5-hydrazinyl-N-(5-methylhexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 115327342
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62642217
N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62236900
5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62168386
5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 113488256
5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175297
N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62166595
N-(4-bromophenyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62167079

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide (CID 62179987) is 5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide?
The InChIKey is SNEQQRGNJOMFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-8(2)11-16-7-9(14-3)10(17-11)12(18)15-5-4-6-21(13,19)20/h7-8,14H,4-6H2,1-3H3,(H,15,18)(H2,13,19,20).
What are the key properties of 5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide?
5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62179987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).