2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

C17H22N4O2 — CID 109299699

IUPAC2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCOCCNc1nccc(C(=O)Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C17H22N4O2/c1-11-9-12(2)15(13(3)10-11)21-16(22)14-5-6-18-17(20-14)19-7-8-23-4/h5-6,9-10H,7-8H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyPCKLOJHXJNXWCW-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.71
Rot. Bonds6

About 2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109299699) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109299699
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCOCCNc1nccc(C(=O)Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C17H22N4O2/c1-11-9-12(2)15(13(3)10-11)21-16(22)14-5-6-18-17(20-14)19-7-8-23-4/h5-6,9-10H,7-8H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyPCKLOJHXJNXWCW-UHFFFAOYSA-N
XLogP2.71
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.71
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-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300081
N-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299687
N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300058
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299710
2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316217
N-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109311111
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
2-(2-methoxyethylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109299616
N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299706
N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205952
N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109295724
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299759

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (CID 109299699) is 2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is COCCNc1nccc(C(=O)Nc2c(C)cc(C)cc2C)n1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is PCKLOJHXJNXWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-9-12(2)15(13(3)10-11)21-16(22)14-5-6-18-17(20-14)19-7-8-23-4/h5-6,9-10H,7-8H2,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109299699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).