2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide

C23H26N4O2 — CID 109331064

IUPAC2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(C)nc(Nc3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-15-10-16(2)12-19(11-15)26-23-25-17(3)13-21(27-23)22(28)24-9-8-18-6-5-7-20(14-18)29-4/h5-7,10-14H,8-9H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyGFADNIIHAUCQEG-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.13
Rot. Bonds7

About 2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide

2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109331064) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109331064
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(C)nc(Nc3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-15-10-16(2)12-19(11-15)26-23-25-17(3)13-21(27-23)22(28)24-9-8-18-6-5-7-20(14-18)29-4/h5-7,10-14H,8-9H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyGFADNIIHAUCQEG-UHFFFAOYSA-N
XLogP4.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331076
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090
2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331067
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214408
N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109328008
2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335915
2-(3,5-dimethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327718
2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328220
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109330975
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331030
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109331064) is 2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is COc1cccc(CCNC(=O)c2cc(C)nc(Nc3cc(C)cc(C)c3)n2)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is GFADNIIHAUCQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-10-16(2)12-19(11-15)26-23-25-17(3)13-21(27-23)22(28)24-9-8-18-6-5-7-20(14-18)29-4/h5-7,10-14H,8-9H2,1-4H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109331064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).