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

C15H26N4O2 — CID 82940841

IUPAC5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
SMILESCCCOCCCNC(=O)c1nc(C(C)C)ncc1NC
InChIInChI=1S/C15H26N4O2/c1-5-8-21-9-6-7-17-15(20)13-12(16-4)10-18-14(19-13)11(2)3/h10-11,16H,5-9H2,1-4H3,(H,17,20)
InChIKeyLJABXSIRPMNHNS-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.19
Rot. Bonds9

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

5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide (PubChem CID 82940841) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
PubChem CID82940841
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
SMILESCCCOCCCNC(=O)c1nc(C(C)C)ncc1NC
InChIInChI=1S/C15H26N4O2/c1-5-8-21-9-6-7-17-15(20)13-12(16-4)10-18-14(19-13)11(2)3/h10-11,16H,5-9H2,1-4H3,(H,17,20)
InChIKeyLJABXSIRPMNHNS-UHFFFAOYSA-N
XLogP2.19
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82947676
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62168386
5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide
CID 62179987
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62642217
5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62171067
5-hydrazinyl-N-(5-methylhexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 115327342
N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62166595
N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63499131
N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62236900
N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55046824

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide (CID 82940841) is 5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide is CCCOCCCNC(=O)c1nc(C(C)C)ncc1NC.
What is the InChIKey of 5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide?
The InChIKey is LJABXSIRPMNHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-8-21-9-6-7-17-15(20)13-12(16-4)10-18-14(19-13)11(2)3/h10-11,16H,5-9H2,1-4H3,(H,17,20).
What are the key properties of 5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide?
5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 82940841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).