6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

C16H20N4O2 — CID 109364699

IUPAC6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2cccc(C)c2)nc(C)n1
InChIInChI=1S/C16H20N4O2/c1-11-5-4-6-13(9-11)20-16(21)14-10-15(17-7-8-22-3)19-12(2)18-14/h4-6,9-10H,7-8H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyQOAMORGLUIWBEH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.40
Rot. Bonds6

About 6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109364699) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109364699
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2cccc(C)c2)nc(C)n1
InChIInChI=1S/C16H20N4O2/c1-11-5-4-6-13(9-11)20-16(21)14-10-15(17-7-8-22-3)19-12(2)18-14/h4-6,9-10H,7-8H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyQOAMORGLUIWBEH-UHFFFAOYSA-N
XLogP2.40
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.40
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

6-(3-methoxypropylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109365060
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364786
N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365130
N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364774
6-(2-methoxyethylamino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364633
6-[2-(4-fluorophenyl)ethylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109371899
methyl 3-[[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109365116
6-(2-methoxyethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109364749
N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364760
6-[(2-chlorophenyl)methylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109369971
N-(4-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365095
N-(2-ethylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364710

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109364699) is 6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is COCCNc1cc(C(=O)Nc2cccc(C)c2)nc(C)n1.
What is the InChIKey of 6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is QOAMORGLUIWBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-5-4-6-13(9-11)20-16(21)14-10-15(17-7-8-22-3)19-12(2)18-14/h4-6,9-10H,7-8H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of 6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.40, 6 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-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109364699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).