1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone

C18H19N5O — CID 943838

IUPAC1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)nc1C
InChIInChI=1S/C18H19N5O/c1-9-6-7-15-14(8-9)10(2)19-18(22-15)23-17-20-11(3)16(13(5)24)12(4)21-17/h6-8H,1-5H3,(H,19,20,21,22,23)
InChIKeyBDXCMCZTMDOVNK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.60
Rot. Bonds3

About 1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone

1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone (PubChem CID 943838) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone
PubChem CID943838
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)nc1C
InChIInChI=1S/C18H19N5O/c1-9-6-7-15-14(8-9)10(2)19-18(22-15)23-17-20-11(3)16(13(5)24)12(4)21-17/h6-8H,1-5H3,(H,19,20,21,22,23)
InChIKeyBDXCMCZTMDOVNK-UHFFFAOYSA-N
XLogP3.60
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone (CID 943838) is 1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone is CC(=O)c1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)nc1C.
What is the InChIKey of 1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone?
The InChIKey is BDXCMCZTMDOVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-9-6-7-15-14(8-9)10(2)19-18(22-15)23-17-20-11(3)16(13(5)24)12(4)21-17/h6-8H,1-5H3,(H,19,20,21,22,23).
What are the key properties of 1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone?
1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone has a molecular weight of 321.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4,6-dimethylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 943838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).