6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one

C12H9N5O — CID 66811305

IUPAC6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(Nc2ncc3ccccc3n2)[nH]1
InChIInChI=1S/C12H9N5O/c18-12-13-6-5-10(17-12)16-11-14-7-8-3-1-2-4-9(8)15-11/h1-7H,(H2,13,14,15,16,17,18)
InChIKeyXCYBAGWEXWVIMO-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.46
Rot. Bonds2

About 6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one

6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one (PubChem CID 66811305) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is 6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one
PubChem CID66811305
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Name6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(Nc2ncc3ccccc3n2)[nH]1
InChIInChI=1S/C12H9N5O/c18-12-13-6-5-10(17-12)16-11-14-7-8-3-1-2-4-9(8)15-11/h1-7H,(H2,13,14,15,16,17,18)
InChIKeyXCYBAGWEXWVIMO-UHFFFAOYSA-N
XLogP1.46
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one (CID 66811305) is 6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one is O=c1nccc(Nc2ncc3ccccc3n2)[nH]1.
What is the InChIKey of 6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one?
The InChIKey is XCYBAGWEXWVIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c18-12-13-6-5-10(17-12)16-11-14-7-8-3-1-2-4-9(8)15-11/h1-7H,(H2,13,14,15,16,17,18).
What are the key properties of 6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one?
6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one has a molecular weight of 239.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 66811305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).