6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C23H26N4O2 — CID 109327749

IUPAC6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(C)nc(Nc3ccc(OC(C)C)cc3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-15(2)29-20-10-8-19(9-11-20)26-23-25-17(4)13-21(27-23)22(28)24-14-18-7-5-6-16(3)12-18/h5-13,15H,14H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyJAKOZVMCTLFSKL-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.55
Rot. Bonds7

About 6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109327749) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109327749
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(C)nc(Nc3ccc(OC(C)C)cc3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-15(2)29-20-10-8-19(9-11-20)26-23-25-17(4)13-21(27-23)22(28)24-14-18-7-5-6-16(3)12-18/h5-13,15H,14H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyJAKOZVMCTLFSKL-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327711
2-(3,5-dimethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327718
2-(3-fluoroanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327761
methyl 3-[[4-methyl-6-[(3-methylphenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109327758
N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296
N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109169793
6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327701
2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330057
2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109320439
2-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329366
6-methyl-N-(3-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109334985
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109188570

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109327749) is 6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is Cc1cccc(CNC(=O)c2cc(C)nc(Nc3ccc(OC(C)C)cc3)n2)c1.
What is the InChIKey of 6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is JAKOZVMCTLFSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(2)29-20-10-8-19(9-11-20)26-23-25-17(4)13-21(27-23)22(28)24-14-18-7-5-6-16(3)12-18/h5-13,15H,14H2,1-4H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109327749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).