N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide

C13H22N4O — CID 131899429

IUPACN-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-6-17(8-7-16(4)5)13(18)12-9-10(2)14-11(3)15-12/h9H,6-8H2,1-5H3
InChIKeyZRFJTVKPSJRFPS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.12
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 131899429) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID131899429
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-6-17(8-7-16(4)5)13(18)12-9-10(2)14-11(3)15-12/h9H,6-8H2,1-5H3
InChIKeyZRFJTVKPSJRFPS-UHFFFAOYSA-N
XLogP1.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide (CID 131899429) is N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide is CCN(CCN(C)C)C(=O)c1cc(C)nc(C)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is ZRFJTVKPSJRFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-6-17(8-7-16(4)5)13(18)12-9-10(2)14-11(3)15-12/h9H,6-8H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 131899429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).