[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone

C19H20F3N5O — CID 70981947

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4C(F)(F)F)CC3C2)n1
InChIInChI=1S/C19H20F3N5O/c1-11-6-12(2)25-18(24-11)27-9-13-7-26(8-14(13)10-27)17(28)16-15(19(20,21)22)4-3-5-23-16/h3-6,13-14H,7-10H2,1-2H3
InChIKeySRIGWRDWZGNORS-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.72
Rot. Bonds2

About [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 70981947) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID70981947
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4C(F)(F)F)CC3C2)n1
InChIInChI=1S/C19H20F3N5O/c1-11-6-12(2)25-18(24-11)27-9-13-7-26(8-14(13)10-27)17(28)16-15(19(20,21)22)4-3-5-23-16/h3-6,13-14H,7-10H2,1-2H3
InChIKeySRIGWRDWZGNORS-UHFFFAOYSA-N
XLogP2.72
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone (CID 70981947) is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone is Cc1cc(C)nc(N2CC3CN(C(=O)c4ncccc4C(F)(F)F)CC3C2)n1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is SRIGWRDWZGNORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-11-6-12(2)25-18(24-11)27-9-13-7-26(8-14(13)10-27)17(28)16-15(19(20,21)22)4-3-5-23-16/h3-6,13-14H,7-10H2,1-2H3.
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 391.40 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 70981947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).