2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide

C11H18N4O2 — CID 46345475

IUPAC2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(N(C)C)nc1C
InChIInChI=1S/C11H18N4O2/c1-8-9(10(16)12-5-6-17-4)7-13-11(14-8)15(2)3/h7H,5-6H2,1-4H3,(H,12,16)
InChIKeySQABWLUOJAMIMS-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.23
Rot. Bonds5

About 2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide

2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 46345475) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide
PubChem CID46345475
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(N(C)C)nc1C
InChIInChI=1S/C11H18N4O2/c1-8-9(10(16)12-5-6-17-4)7-13-11(14-8)15(2)3/h7H,5-6H2,1-4H3,(H,12,16)
InChIKeySQABWLUOJAMIMS-UHFFFAOYSA-N
XLogP0.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.23
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide (CID 46345475) is 2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide is COCCNC(=O)c1cnc(N(C)C)nc1C.
What is the InChIKey of 2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is SQABWLUOJAMIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-9(10(16)12-5-6-17-4)7-13-11(14-8)15(2)3/h7H,5-6H2,1-4H3,(H,12,16).
What are the key properties of 2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide?
2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 46345475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).