1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one

C19H24N6O — CID 126932752

IUPAC1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one
SMILESO=c1ncccn1CCN1CC2CN(c3cc(C4CC4)ncn3)CC2C1
InChIInChI=1S/C19H24N6O/c26-19-20-4-1-5-24(19)7-6-23-9-15-11-25(12-16(15)10-23)18-8-17(14-2-3-14)21-13-22-18/h1,4-5,8,13-16H,2-3,6-7,9-12H2
InChIKeyXDNCLKXIIMCLGI-UHFFFAOYSA-N
MW352.44 g/mol
LogP0.98
Rot. Bonds5

About 1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one

1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one (PubChem CID 126932752) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one
PubChem CID126932752
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one
SMILESO=c1ncccn1CCN1CC2CN(c3cc(C4CC4)ncn3)CC2C1
InChIInChI=1S/C19H24N6O/c26-19-20-4-1-5-24(19)7-6-23-9-15-11-25(12-16(15)10-23)18-8-17(14-2-3-14)21-13-22-18/h1,4-5,8,13-16H,2-3,6-7,9-12H2
InChIKeyXDNCLKXIIMCLGI-UHFFFAOYSA-N
XLogP0.98
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one with MolForge

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Related Compounds

5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932770
6-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1-methylpyrimidin-2-one
CID 126932740
5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1-methylpyrimidin-2-one
CID 126932734
2-(2-piperidin-1-ylethyl)-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932911
5-(6-cyclopropylpyrimidin-4-yl)-2-[(1-methylimidazol-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932785
5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methylpyrimidin-4-one
CID 126932746
5-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-methyl-1,2-oxazole
CID 126932787
4-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126932779
5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2,4-oxadiazole
CID 126932768
(1S,5R)-3-(6-cyclopropylpyrimidin-4-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72839820
3-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 126932790
2-[2-(4-methylpyrazol-1-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933012

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one (CID 126932752) is 1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one is O=c1ncccn1CCN1CC2CN(c3cc(C4CC4)ncn3)CC2C1.
What is the InChIKey of 1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one?
The InChIKey is XDNCLKXIIMCLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c26-19-20-4-1-5-24(19)7-6-23-9-15-11-25(12-16(15)10-23)18-8-17(14-2-3-14)21-13-22-18/h1,4-5,8,13-16H,2-3,6-7,9-12H2.
What are the key properties of 1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one?
1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one is sourced from PubChem (CID 126932752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).