(6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C9H12N2O — CID 130337027

IUPAC(6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1C[C@H](C)c2nccc(=O)n21
InChIInChI=1S/C9H12N2O/c1-6-5-7(2)11-8(12)3-4-10-9(6)11/h3-4,6-7H,5H2,1-2H3/t6-,7+/m0/s1
InChIKeyUZHMHXPOFYHPSR-NKWVEPMBSA-N
MW164.21 g/mol
LogP1.31
Rot. Bonds

About (6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

(6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 130337027) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID130337027
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1C[C@H](C)c2nccc(=O)n21
InChIInChI=1S/C9H12N2O/c1-6-5-7(2)11-8(12)3-4-10-9(6)11/h3-4,6-7H,5H2,1-2H3/t6-,7+/m0/s1
InChIKeyUZHMHXPOFYHPSR-NKWVEPMBSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of (6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 130337027) is (6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for (6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is C[C@@H]1C[C@H](C)c2nccc(=O)n21.
What is the InChIKey of (6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is UZHMHXPOFYHPSR-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-5-7(2)11-8(12)3-4-10-9(6)11/h3-4,6-7H,5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
(6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 164.21 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-6,8-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 130337027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).