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

C9H12N2O — CID 58681908

IUPAC(6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCc1cnc2n(c1=O)[C@H](C)CC2
InChIInChI=1S/C9H12N2O/c1-6-5-10-8-4-3-7(2)11(8)9(6)12/h5,7H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyMTDGTZKRYXZSMA-SSDOTTSWSA-N
MW164.21 g/mol
LogP1.06
Rot. Bonds

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

(6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 58681908) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID58681908
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCc1cnc2n(c1=O)[C@H](C)CC2
InChIInChI=1S/C9H12N2O/c1-6-5-10-8-4-3-7(2)11(8)9(6)12/h5,7H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyMTDGTZKRYXZSMA-SSDOTTSWSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one
CID 5319799
3,6-Dimethyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 601212
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 3-methyl
CID 529096
3-methyl-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 641889
6-Methyl-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 10725517
3-methyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 13066351
6-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxamide
CID 20438508
3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 20438513
3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 20438531
6-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxamide
CID 20438535
6-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carbonitrile
CID 20438536
6-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58125140

Frequently Asked Questions

What is the IUPAC name of (6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of (6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 58681908) is (6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for (6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is Cc1cnc2n(c1=O)[C@H](C)CC2.
What is the InChIKey of (6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is MTDGTZKRYXZSMA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-5-10-8-4-3-7(2)11(8)9(6)12/h5,7H,3-4H2,1-2H3/t7-/m1/s1.
What are the key properties of (6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
(6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 164.21 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58681908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).