2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide

C23H26N4O — CID 109256142

IUPAC2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCc1cccc(CC)c1Nc1ncc(C(=O)NCc2ccc(C)cc2)cn1
InChIInChI=1S/C23H26N4O/c1-4-18-7-6-8-19(5-2)21(18)27-23-25-14-20(15-26-23)22(28)24-13-17-11-9-16(3)10-12-17/h6-12,14-15H,4-5,13H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyFJLVDRFAJYKAER-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.58
Rot. Bonds7

About 2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide

2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109256142) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109256142
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCc1cccc(CC)c1Nc1ncc(C(=O)NCc2ccc(C)cc2)cn1
InChIInChI=1S/C23H26N4O/c1-4-18-7-6-8-19(5-2)21(18)27-23-25-14-20(15-26-23)22(28)24-13-17-11-9-16(3)10-12-17/h6-12,14-15H,4-5,13H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyFJLVDRFAJYKAER-UHFFFAOYSA-N
XLogP4.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256133
2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256132
2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256149
2-(2-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256148
2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265494
N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256139
2-(butylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109248261
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
2-(2,5-dichloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256195
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256112
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 109256142) is 2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is CCc1cccc(CC)c1Nc1ncc(C(=O)NCc2ccc(C)cc2)cn1.
What is the InChIKey of 2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is FJLVDRFAJYKAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-18-7-6-8-19(5-2)21(18)27-23-25-14-20(15-26-23)22(28)24-13-17-11-9-16(3)10-12-17/h6-12,14-15H,4-5,13H2,1-3H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).