N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide

C17H21N5O3 — CID 109323620

IUPACN-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCNc1nc(C)cc(C(=O)Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C17H21N5O3/c1-11-9-15(22-17(19-11)18-7-8-25-3)16(24)21-14-6-4-5-13(10-14)20-12(2)23/h4-6,9-10H,7-8H2,1-3H3,(H,20,23)(H,21,24)(H,18,19,22)
InChIKeyLOJKWNXUUVUBTP-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.05
Rot. Bonds7

About N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide

N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109323620) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109323620
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCNc1nc(C)cc(C(=O)Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C17H21N5O3/c1-11-9-15(22-17(19-11)18-7-8-25-3)16(24)21-14-6-4-5-13(10-14)20-12(2)23/h4-6,9-10H,7-8H2,1-3H3,(H,20,23)(H,21,24)(H,18,19,22)
InChIKeyLOJKWNXUUVUBTP-UHFFFAOYSA-N
XLogP2.05
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323658
2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109323649
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109323629
N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333144
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335973
N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332901
N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863
N-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324937
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
N-(3-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330950

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide (CID 109323620) is N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide is COCCNc1nc(C)cc(C(=O)Nc2cccc(NC(C)=O)c2)n1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is LOJKWNXUUVUBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-9-15(22-17(19-11)18-7-8-25-3)16(24)21-14-6-4-5-13(10-14)20-12(2)23/h4-6,9-10H,7-8H2,1-3H3,(H,20,23)(H,21,24)(H,18,19,22).
What are the key properties of N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide?
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109323620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).