N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide

C14H24N4O2 — CID 109251916

IUPACN-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(NCCCOC)nc1
InChIInChI=1S/C14H24N4O2/c1-4-5-8-18(2)13(19)12-10-16-14(17-11-12)15-7-6-9-20-3/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyNBCYXGYKVUWHJZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.80
Rot. Bonds9

About N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide

N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide (PubChem CID 109251916) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide
PubChem CID109251916
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(NCCCOC)nc1
InChIInChI=1S/C14H24N4O2/c1-4-5-8-18(2)13(19)12-10-16-14(17-11-12)15-7-6-9-20-3/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyNBCYXGYKVUWHJZ-UHFFFAOYSA-N
XLogP1.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide
CID 109260523
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301
N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257900
N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109248053
2-(2-methoxyethylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109251520
N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257290
6-(ethylamino)-N-(3-methoxypropyl)-N-methylpyridine-3-carboxamide
CID 63009314
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109263930
N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258703
5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109103454
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251488
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide (CID 109251916) is N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide is CCCCN(C)C(=O)c1cnc(NCCCOC)nc1.
What is the InChIKey of N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide?
The InChIKey is NBCYXGYKVUWHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-5-8-18(2)13(19)12-10-16-14(17-11-12)15-7-6-9-20-3/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide?
N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 109251916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).