2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide

C21H24N4O — CID 39948724

IUPAC2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide
SMILESCc1cc(N(C)CC(=O)Nc2cccc3ccccc23)nc(C(C)C)n1
InChIInChI=1S/C21H24N4O/c1-14(2)21-22-15(3)12-19(24-21)25(4)13-20(26)23-18-11-7-9-16-8-5-6-10-17(16)18/h5-12,14H,13H2,1-4H3,(H,23,26)
InChIKeyLTGKPZXVUWFHLG-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.14
Rot. Bonds5

About 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide

2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide (PubChem CID 39948724) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide
PubChem CID39948724
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide
SMILESCc1cc(N(C)CC(=O)Nc2cccc3ccccc23)nc(C(C)C)n1
InChIInChI=1S/C21H24N4O/c1-14(2)21-22-15(3)12-19(24-21)25(4)13-20(26)23-18-11-7-9-16-8-5-6-10-17(16)18/h5-12,14H,13H2,1-4H3,(H,23,26)
InChIKeyLTGKPZXVUWFHLG-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide (CID 39948724) is 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide is Cc1cc(N(C)CC(=O)Nc2cccc3ccccc23)nc(C(C)C)n1.
What is the InChIKey of 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide?
The InChIKey is LTGKPZXVUWFHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14(2)21-22-15(3)12-19(24-21)25(4)13-20(26)23-18-11-7-9-16-8-5-6-10-17(16)18/h5-12,14H,13H2,1-4H3,(H,23,26).
What are the key properties of 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide?
2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide has a molecular weight of 348.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 39948724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).