5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide

C12H20N4O — CID 55042358

IUPAC5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1nc(C(C)C)ncc1NC
InChIInChI=1S/C12H20N4O/c1-5-6-14-12(17)10-9(13-4)7-15-11(16-10)8(2)3/h7-8,13H,5-6H2,1-4H3,(H,14,17)
InChIKeyRJMCNXZCTVNRNF-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.78
Rot. Bonds5

About 5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide

5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide (PubChem CID 55042358) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
PubChem CID55042358
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1nc(C(C)C)ncc1NC
InChIInChI=1S/C12H20N4O/c1-5-6-14-12(17)10-9(13-4)7-15-11(16-10)8(2)3/h7-8,13H,5-6H2,1-4H3,(H,14,17)
InChIKeyRJMCNXZCTVNRNF-UHFFFAOYSA-N
XLogP1.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62168386
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82940841
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62642217
N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63499131
5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide
CID 62179987
N-(2-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63500828
5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62171067
5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175297
N-[1-(dimethylamino)propan-2-yl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 82950338
N-(3-methylbutan-2-yl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 62165287
N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 62173236

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide (CID 55042358) is 5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1nc(C(C)C)ncc1NC.
What is the InChIKey of 5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide?
The InChIKey is RJMCNXZCTVNRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-5-6-14-12(17)10-9(13-4)7-15-11(16-10)8(2)3/h7-8,13H,5-6H2,1-4H3,(H,14,17).
What are the key properties of 5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide?
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 55042358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).