N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide

C16H18N4O3 — CID 109342867

IUPACN-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ncn1
InChIInChI=1S/C16H18N4O3/c1-11(21)12-3-5-13(6-4-12)20-16(22)14-9-15(19-10-18-14)17-7-8-23-2/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)(H,17,18,19)
InChIKeyKXPNYYBMXOUMHB-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.99
Rot. Bonds7

About N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide

N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide (PubChem CID 109342867) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
PubChem CID109342867
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ncn1
InChIInChI=1S/C16H18N4O3/c1-11(21)12-3-5-13(6-4-12)20-16(22)14-9-15(19-10-18-14)17-7-8-23-2/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)(H,17,18,19)
InChIKeyKXPNYYBMXOUMHB-UHFFFAOYSA-N
XLogP1.99
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344178
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342902
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343201
N-(4-acetylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347355
methyl 4-[[6-(3-methylbutylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109354250
N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343279
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340711
N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167267
ethyl 4-[[6-(butylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109339975
methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109342870
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338344

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide (CID 109342867) is N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide is COCCNc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ncn1.
What is the InChIKey of N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide?
The InChIKey is KXPNYYBMXOUMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11(21)12-3-5-13(6-4-12)20-16(22)14-9-15(19-10-18-14)17-7-8-23-2/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)(H,17,18,19).
What are the key properties of N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109342867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).