1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone

C18H19N5O2 — CID 16584499

IUPAC1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
SMILESCCOc1cccc2c(C)nc(Nc3ncc(C(C)=O)c(C)n3)nc12
InChIInChI=1S/C18H19N5O2/c1-5-25-15-8-6-7-13-10(2)21-18(22-16(13)15)23-17-19-9-14(12(4)24)11(3)20-17/h6-9H,5H2,1-4H3,(H,19,20,21,22,23)
InChIKeyGOYJTXMZDRMJQX-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.38
Rot. Bonds5

About 1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone

1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 16584499) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
PubChem CID16584499
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
SMILESCCOc1cccc2c(C)nc(Nc3ncc(C(C)=O)c(C)n3)nc12
InChIInChI=1S/C18H19N5O2/c1-5-25-15-8-6-7-13-10(2)21-18(22-16(13)15)23-17-19-9-14(12(4)24)11(3)20-17/h6-9H,5H2,1-4H3,(H,19,20,21,22,23)
InChIKeyGOYJTXMZDRMJQX-UHFFFAOYSA-N
XLogP3.38
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone with MolForge

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Related Compounds

methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate
CID 17228548
1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
CID 941014
2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol
CID 17228638
5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602403
2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135762523
8-ethoxy-N-hydroxy-2-methylquinoline-4-carboxamide
CID 82574485
8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66502797
8-ethoxy-2-methylquinoline-4-carboxamide
CID 82574053
methyl 4-amino-8-ethoxyquinoline-3-carboxylate
CID 102614789
2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181278
8-ethoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 17228645
methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate
CID 82575172

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone (CID 16584499) is 1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone is CCOc1cccc2c(C)nc(Nc3ncc(C(C)=O)c(C)n3)nc12.
What is the InChIKey of 1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is GOYJTXMZDRMJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-5-25-15-8-6-7-13-10(2)21-18(22-16(13)15)23-17-19-9-14(12(4)24)11(3)20-17/h6-9H,5H2,1-4H3,(H,19,20,21,22,23).
What are the key properties of 1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 337.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 16584499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).