6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C10H13N3O2 — CID 54424101

IUPAC6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCNc1cnc2n(c1=O)C(C(C)=O)CC2
InChIInChI=1S/C10H13N3O2/c1-6(14)8-3-4-9-12-5-7(11-2)10(15)13(8)9/h5,8,11H,3-4H2,1-2H3
InChIKeyWCWAJWJVMPOYLI-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.36
Rot. Bonds2

About 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 54424101) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID54424101
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCNc1cnc2n(c1=O)C(C(C)=O)CC2
InChIInChI=1S/C10H13N3O2/c1-6(14)8-3-4-9-12-5-7(11-2)10(15)13(8)9/h5,8,11H,3-4H2,1-2H3
InChIKeyWCWAJWJVMPOYLI-UHFFFAOYSA-N
XLogP0.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 54424101) is 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CNc1cnc2n(c1=O)C(C(C)=O)CC2.
What is the InChIKey of 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is WCWAJWJVMPOYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(14)8-3-4-9-12-5-7(11-2)10(15)13(8)9/h5,8,11H,3-4H2,1-2H3.
What are the key properties of 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 207.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 54424101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).