2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide

C18H25N5O2 — CID 109251441

IUPAC2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(Nc2ncc(C(=O)NCCOC)cn2)cc1
InChIInChI=1S/C18H25N5O2/c1-4-23(5-2)16-8-6-15(7-9-16)22-18-20-12-14(13-21-18)17(24)19-10-11-25-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyATAVQWYKMIKHJE-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.44
Rot. Bonds9

About 2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide

2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide (PubChem CID 109251441) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide
PubChem CID109251441
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(Nc2ncc(C(=O)NCCOC)cn2)cc1
InChIInChI=1S/C18H25N5O2/c1-4-23(5-2)16-8-6-15(7-9-16)22-18-20-12-14(13-21-18)17(24)19-10-11-25-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyATAVQWYKMIKHJE-UHFFFAOYSA-N
XLogP2.44
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109247409
2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251455
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153070
N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide
CID 109251444
2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide
CID 109246599
4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249349
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
CID 109252791
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
CID 109248388
2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246574
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide (CID 109251441) is 2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide is CCN(CC)c1ccc(Nc2ncc(C(=O)NCCOC)cn2)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide?
The InChIKey is ATAVQWYKMIKHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-23(5-2)16-8-6-15(7-9-16)22-18-20-12-14(13-21-18)17(24)19-10-11-25-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,24)(H,20,21,22).
What are the key properties of 2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide?
2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).