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

C18H23N5O — CID 126934061

IUPAC1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one
SMILESCc1cncnc1N1CC2CN(CCn3ccccc3=O)CC2C1
InChIInChI=1S/C18H23N5O/c1-14-8-19-13-20-18(14)23-11-15-9-21(10-16(15)12-23)6-7-22-5-3-2-4-17(22)24/h2-5,8,13,15-16H,6-7,9-12H2,1H3
InChIKeyMSQKCPZHWCAMCU-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.01
Rot. Bonds4

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

1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one (PubChem CID 126934061) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one
PubChem CID126934061
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one
SMILESCc1cncnc1N1CC2CN(CCn3ccccc3=O)CC2C1
InChIInChI=1S/C18H23N5O/c1-14-8-19-13-20-18(14)23-11-15-9-21(10-16(15)12-23)6-7-22-5-3-2-4-17(22)24/h2-5,8,13,15-16H,6-7,9-12H2,1H3
InChIKeyMSQKCPZHWCAMCU-UHFFFAOYSA-N
XLogP1.01
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one (CID 126934061) is 1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one is Cc1cncnc1N1CC2CN(CCn3ccccc3=O)CC2C1.
What is the InChIKey of 1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one?
The InChIKey is MSQKCPZHWCAMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-8-19-13-20-18(14)23-11-15-9-21(10-16(15)12-23)6-7-22-5-3-2-4-17(22)24/h2-5,8,13,15-16H,6-7,9-12H2,1H3.
What are the key properties of 1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one?
1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one has a molecular weight of 325.42 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 126934061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).