3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione

C12H20N2O2 — CID 141467386

IUPAC3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione
SMILESCC(C)(C)CC1C(=O)NC2CCCN2C1=O
InChIInChI=1S/C12H20N2O2/c1-12(2,3)7-8-10(15)13-9-5-4-6-14(9)11(8)16/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyYFQVATSDDZFXGP-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.12
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione

3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione (PubChem CID 141467386) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione
PubChem CID141467386
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione
SMILESCC(C)(C)CC1C(=O)NC2CCCN2C1=O
InChIInChI=1S/C12H20N2O2/c1-12(2,3)7-8-10(15)13-9-5-4-6-14(9)11(8)16/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyYFQVATSDDZFXGP-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-(3-Methyl-butyl)-5-(2-oxo-pyrrolidin-1-ylmethyl)-pyrimidine-2,4,6-trione
CID 3698101
(3S,8aS)-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione
CID 163042190
1-Ethyl-5-(2-methylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 13982531
3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione
CID 50914473
Racemic 3,3,6-trimethyl-9-oxo-1,5-diazabicyclo[4.3.0]nonane
CID 13923243
5-(2,2-Dimethylpropyl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-diazinane-2,4-dione
CID 167827383
5-[(2-Oxopyrrolidin-1-yl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 4968726
(4R,4aR)-4-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 10419562
1,3-Dimethyl-5-(4-methylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione
CID 12010770
8,8-Dimethyl-1,2,3,6,7,8a-hexahydroimidazo[1,2-a]pyridin-5-one
CID 13092230
3,3,7-Trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one
CID 13092248
(8aS)-3,3,8a-trimethyl-2,4,7,8-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
CID 13923244

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of 3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione (CID 141467386) is 3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione is CC(C)(C)CC1C(=O)NC2CCCN2C1=O.
What is the InChIKey of 3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione?
The InChIKey is YFQVATSDDZFXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,3)7-8-10(15)13-9-5-4-6-14(9)11(8)16/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione?
3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 141467386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).