2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one

C15H22N4O — CID 136978614

IUPAC2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one
SMILESCCC1C2CNCC2CN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H22N4O/c1-2-12-11-7-16-6-10(11)8-19(12)13-5-14(20)18-15(17-13)9-3-4-9/h5,9-12,16H,2-4,6-8H2,1H3,(H,17,18,20)
InChIKeyODAMPZBRVWONJJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.08
Rot. Bonds3

About 2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one (PubChem CID 136978614) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one
PubChem CID136978614
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one
SMILESCCC1C2CNCC2CN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H22N4O/c1-2-12-11-7-16-6-10(11)8-19(12)13-5-14(20)18-15(17-13)9-3-4-9/h5,9-12,16H,2-4,6-8H2,1H3,(H,17,18,20)
InChIKeyODAMPZBRVWONJJ-UHFFFAOYSA-N
XLogP1.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282148
5-(6-ethoxypyrimidin-4-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66320126
4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208598
2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137258814
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 137008986
methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate
CID 66456976
2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137009710
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136989428
5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210120
2-cyclopropyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007945

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one (CID 136978614) is 2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one is CCC1C2CNCC2CN1c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one?
The InChIKey is ODAMPZBRVWONJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-12-11-7-16-6-10(11)8-19(12)13-5-14(20)18-15(17-13)9-3-4-9/h5,9-12,16H,2-4,6-8H2,1H3,(H,17,18,20).
What are the key properties of 2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one has a molecular weight of 274.37 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136978614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).