5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione

C12H16N4O3 — CID 43595358

IUPAC5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCC1CC2CNCC2N1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O3/c1-6-2-7-3-13-5-9(7)16(6)11(18)8-4-14-12(19)15-10(8)17/h4,6-7,9,13H,2-3,5H2,1H3,(H2,14,15,17,19)
InChIKeyRJWWSEANYICYGZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.11
Rot. Bonds1

About 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione

5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 43595358) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID43595358
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCC1CC2CNCC2N1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O3/c1-6-2-7-3-13-5-9(7)16(6)11(18)8-4-14-12(19)15-10(8)17/h4,6-7,9,13H,2-3,5H2,1H3,(H2,14,15,17,19)
InChIKeyRJWWSEANYICYGZ-UHFFFAOYSA-N
XLogP-1.11
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

N-{(3R*,4S*)-4-cyclopropyl-1-[(diethylamino)carbonyl]pyrrolidin-3-yl}-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 72882371
5-[[[1-(3-aminopropyl)-4-tert-butylpyrrolidin-2-yl]methylamino]methyl]-1H-pyrimidine-2,4-dione
CID 132234546
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43594534
4-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 43595369
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
5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43752115
5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 62275421
N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 63888728
5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 64021498
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 65826370
N-[2-(aminomethyl)cyclopentyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 65850705
5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione
CID 66208333

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 43595358) is 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione is CC1CC2CNCC2N1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RJWWSEANYICYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-6-2-7-3-13-5-9(7)16(6)11(18)8-4-14-12(19)15-10(8)17/h4,6-7,9,13H,2-3,5H2,1H3,(H2,14,15,17,19).
What are the key properties of 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione?
5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 264.28 g/mol, XLogP of -1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 43595358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).