5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide

C15H26N4O — CID 63003869

IUPAC5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NCCCC(C)C
InChIInChI=1S/C15H26N4O/c1-10(2)7-6-8-17-15(20)13-12(16-5)9-18-14(19-13)11(3)4/h9-11,16H,6-8H2,1-5H3,(H,17,20)
InChIKeyFAEFEDQXEKACTA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.81
Rot. Bonds7

About 5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 63003869) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID63003869
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NCCCC(C)C
InChIInChI=1S/C15H26N4O/c1-10(2)7-6-8-17-15(20)13-12(16-5)9-18-14(19-13)11(3)4/h9-11,16H,6-8H2,1-5H3,(H,17,20)
InChIKeyFAEFEDQXEKACTA-UHFFFAOYSA-N
XLogP2.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydrazinyl-N-(5-methylhexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 115327342
5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82940841
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
N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63499131
5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62168386
N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62236900
N-[1-(dimethylamino)propan-2-yl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 82950338
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
5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 113488256

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 63003869) is 5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)NCCCC(C)C.
What is the InChIKey of 5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is FAEFEDQXEKACTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)7-6-8-17-15(20)13-12(16-5)9-18-14(19-13)11(3)4/h9-11,16H,6-8H2,1-5H3,(H,17,20).
What are the key properties of 5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 63003869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).