6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione

C13H20N4O2 — CID 60915525

IUPAC6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CC3CNCC3C2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O2/c1-15-11(3-12(18)16(2)13(15)19)8-17-6-9-4-14-5-10(9)7-17/h3,9-10,14H,4-8H2,1-2H3
InChIKeyZBUIKUPZWOZBAI-UHFFFAOYSA-N
MW264.33 g/mol
LogP-1.26
Rot. Bonds2

About 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione

6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 60915525) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID60915525
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CC3CNCC3C2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O2/c1-15-11(3-12(18)16(2)13(15)19)8-17-6-9-4-14-5-10(9)7-17/h3,9-10,14H,4-8H2,1-2H3
InChIKeyZBUIKUPZWOZBAI-UHFFFAOYSA-N
XLogP-1.26
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

N-{1-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]pyrrolidin-3-yl}acetamide
CID 91838023
6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43594686
6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43595501
1,3-Dimethyl-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrimidine-2,4-dione
CID 54949681
1,3-Dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione
CID 60705556
1,3-Dimethyl-6-[(2-pyrrolidin-1-ylethylamino)methyl]pyrimidine-2,4-dione
CID 60705631
6-[[(1-Ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 60856037
1,3-Dimethyl-6-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione
CID 60856280
6-[[(1-Cyclopropylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 60976198
6-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 61515668
1,3-Dimethyl-6-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyrimidine-2,4-dione
CID 61893220
6-[[3-(Aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 62062201

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 60915525) is 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN2CC3CNCC3C2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ZBUIKUPZWOZBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-15-11(3-12(18)16(2)13(15)19)8-17-6-9-4-14-5-10(9)7-17/h3,9-10,14H,4-8H2,1-2H3.
What are the key properties of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 264.33 g/mol, XLogP of -1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 60915525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).