6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

C17H22N4O2 — CID 109364632

IUPAC6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NCc2ccccc2C)nc(C)n1
InChIInChI=1S/C17H22N4O2/c1-12-6-4-5-7-14(12)11-19-17(22)15-10-16(18-8-9-23-3)21-13(2)20-15/h4-7,10H,8-9,11H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyDILIDBOYDWFACI-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.08
Rot. Bonds7

About 6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109364632) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109364632
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NCc2ccccc2C)nc(C)n1
InChIInChI=1S/C17H22N4O2/c1-12-6-4-5-7-14(12)11-19-17(22)15-10-16(18-8-9-23-3)21-13(2)20-15/h4-7,10H,8-9,11H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyDILIDBOYDWFACI-UHFFFAOYSA-N
XLogP2.08
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.08
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-(3-methoxypropyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109365172
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109365996
2-methyl-N-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368604
N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368361
6-(2-methoxyethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364634
6-(2-methoxyethylamino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364633
N-(2-ethylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364710
N-[(2-methoxyphenyl)methyl]-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370200
2-methyl-6-[(2-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109368512
6-(3,4-dimethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368685
6-(5-chloro-2-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368669
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109364632) is 6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is COCCNc1cc(C(=O)NCc2ccccc2C)nc(C)n1.
What is the InChIKey of 6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is DILIDBOYDWFACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-6-4-5-7-14(12)11-19-17(22)15-10-16(18-8-9-23-3)21-13(2)20-15/h4-7,10H,8-9,11H2,1-3H3,(H,19,22)(H,18,20,21).
What are the key properties of 6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109364632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).