1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

C9H12N2O — CID 59284204

IUPAC1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCc1c2n(c(C)nc1=O)CCC2
InChIInChI=1S/C9H12N2O/c1-6-8-4-3-5-11(8)7(2)10-9(6)12/h3-5H2,1-2H3
InChIKeyYFFYIHZDWAAONF-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.81
Rot. Bonds

About 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 59284204) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID59284204
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCc1c2n(c(C)nc1=O)CCC2
InChIInChI=1S/C9H12N2O/c1-6-8-4-3-5-11(8)7(2)10-9(6)12/h3-5H2,1-2H3
InChIKeyYFFYIHZDWAAONF-UHFFFAOYSA-N
XLogP0.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The IUPAC name of 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 59284204) is 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The canonical SMILES for 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is Cc1c2n(c(C)nc1=O)CCC2.
What is the InChIKey of 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is YFFYIHZDWAAONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-8-4-3-5-11(8)7(2)10-9(6)12/h3-5H2,1-2H3.
What are the key properties of 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 164.21 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 59284204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).