N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide

C12H20N4O2 — CID 109248053

IUPACN-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(NCCOC)nc1
InChIInChI=1S/C12H20N4O2/c1-3-4-5-13-11(17)10-8-15-12(16-9-10)14-6-7-18-2/h8-9H,3-7H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyXQOFHAOQPKBVSD-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.06
Rot. Bonds8

About N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide

N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide (PubChem CID 109248053) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
PubChem CID109248053
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(NCCOC)nc1
InChIInChI=1S/C12H20N4O2/c1-3-4-5-13-11(17)10-8-15-12(16-9-10)14-6-7-18-2/h8-9H,3-7H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyXQOFHAOQPKBVSD-UHFFFAOYSA-N
XLogP1.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.06
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

N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251488
2-(2-methoxyethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109251519
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109248050
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide
CID 109251916
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731
N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251583

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide (CID 109248053) is N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide is CCCCNC(=O)c1cnc(NCCOC)nc1.
What is the InChIKey of N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The InChIKey is XQOFHAOQPKBVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-4-5-13-11(17)10-8-15-12(16-9-10)14-6-7-18-2/h8-9H,3-7H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).