6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide

C19H26N4O2 — CID 112853132

IUPAC6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NCCC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C19H26N4O2/c1-14(2)9-10-21-19(24)16-13-17(20-11-12-25-3)23-18(22-16)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyNKXULCQEMKZUDS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.98
Rot. Bonds9

About 6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide

6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853132) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853132
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NCCC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C19H26N4O2/c1-14(2)9-10-21-19(24)16-13-17(20-11-12-25-3)23-18(22-16)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyNKXULCQEMKZUDS-UHFFFAOYSA-N
XLogP2.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.98
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-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109364686
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853112
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853219
N-(furan-2-ylmethyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853104
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853943
N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853174

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide (CID 112853132) is 6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide is COCCNc1cc(C(=O)NCCC(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is NKXULCQEMKZUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)9-10-21-19(24)16-13-17(20-11-12-25-3)23-18(22-16)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,21,24)(H,20,22,23).
What are the key properties of 6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide?
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).