N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide

C16H20N4O2 — CID 109299802

IUPACN-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(NC(C)c2ccccc2)n1
InChIInChI=1S/C16H20N4O2/c1-12(13-6-4-3-5-7-13)19-16-18-9-8-14(20-16)15(21)17-10-11-22-2/h3-9,12H,10-11H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyRHXCTAKFODEUGY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.03
Rot. Bonds7

About N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide

N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109299802) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109299802
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(NC(C)c2ccccc2)n1
InChIInChI=1S/C16H20N4O2/c1-12(13-6-4-3-5-7-13)19-16-18-9-8-14(20-16)15(21)17-10-11-22-2/h3-9,12H,10-11H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyRHXCTAKFODEUGY-UHFFFAOYSA-N
XLogP2.03
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109297087
N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304715
2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296133
N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304745
N-(2-morpholin-4-ylethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109301556
N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304794
N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304746
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304797
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109299630
2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109295527
N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304802

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109299802) is N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide is COCCNC(=O)c1ccnc(NC(C)c2ccccc2)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is RHXCTAKFODEUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(13-6-4-3-5-7-13)19-16-18-9-8-14(20-16)15(21)17-10-11-22-2/h3-9,12H,10-11H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109299802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).