2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

C16H20N4O2 — CID 109299630

IUPAC2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCOCCNc1nccc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C16H20N4O2/c1-22-12-11-19-16-18-10-8-14(20-16)15(21)17-9-7-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11-12H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyUJYPSFKFQFRNII-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.51
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109299630) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109299630
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCOCCNc1nccc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C16H20N4O2/c1-22-12-11-19-16-18-10-8-14(20-16)15(21)17-9-7-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11-12H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyUJYPSFKFQFRNII-UHFFFAOYSA-N
XLogP1.51
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.51
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-[2-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299633
2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109306340
2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307886
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308746
N-[2-(2-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308618
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299605
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
2-(2-methoxyethylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109299616
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935
2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300183
N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299706

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109299630) is 2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is COCCNc1nccc(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is UJYPSFKFQFRNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-12-11-19-16-18-10-8-14(20-16)15(21)17-9-7-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11-12H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109299630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).