6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C18H17N5O — CID 167811145

IUPAC6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(c1nc(C3CC3)nc3ccccc13)C2
InChIInChI=1S/C18H17N5O/c1-10-19-15-9-23(8-13(15)18(24)20-10)17-12-4-2-3-5-14(12)21-16(22-17)11-6-7-11/h2-5,11H,6-9H2,1H3,(H,19,20,24)
InChIKeyADVJFIZUZNMWOU-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.42
Rot. Bonds2

About 6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 167811145) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID167811145
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(c1nc(C3CC3)nc3ccccc13)C2
InChIInChI=1S/C18H17N5O/c1-10-19-15-9-23(8-13(15)18(24)20-10)17-12-4-2-3-5-14(12)21-16(22-17)11-6-7-11/h2-5,11H,6-9H2,1H3,(H,19,20,24)
InChIKeyADVJFIZUZNMWOU-UHFFFAOYSA-N
XLogP2.42
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 167811145) is 6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(c1nc(C3CC3)nc3ccccc13)C2.
What is the InChIKey of 6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is ADVJFIZUZNMWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-10-19-15-9-23(8-13(15)18(24)20-10)17-12-4-2-3-5-14(12)21-16(22-17)11-6-7-11/h2-5,11H,6-9H2,1H3,(H,19,20,24).
What are the key properties of 6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 319.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylquinazolin-4-yl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 167811145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).