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

C18H22N4O2 — CID 67116476

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4occc4C)CC3C2)n1
InChIInChI=1S/C18H22N4O2/c1-11-4-5-24-16(11)17(23)21-7-14-9-22(10-15(14)8-21)18-19-12(2)6-13(3)20-18/h4-6,14-15H,7-10H2,1-3H3
InChIKeyKAKQLZPCIDXJDG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.20
Rot. Bonds2

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

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 67116476) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 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-methylfuran-2-yl)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-methylfuran-2-yl)methanone
PubChem CID67116476
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4occc4C)CC3C2)n1
InChIInChI=1S/C18H22N4O2/c1-11-4-5-24-16(11)17(23)21-7-14-9-22(10-15(14)8-21)18-19-12(2)6-13(3)20-18/h4-6,14-15H,7-10H2,1-3H3
InChIKeyKAKQLZPCIDXJDG-UHFFFAOYSA-N
XLogP2.20
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.20
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-methylfuran-2-yl)methanone with MolForge

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Related Compounds

N-(4-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)phenyl)furan-2-carboxamide
CID 44522249
2-(4,6-Dimethylpyrimidin-2-yl)-5-[(3-phenylfuran-2-yl)carbonyl]octahydropyrrolo[3,4-c]pyrrole
CID 52917965
4-Piperidinecarboxamide, 1-(4,6-dimethyl-2-pyrimidinyl)-N-(2-furanylmethyl)-
CID 653814
Furan-2-yl-[4-(6-methyl-2-phenyl-pyrimidin-4-yl)-piperazin-1-yl]-methanone
CID 653840
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 24019695
N-[3-[methyl-(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propyl]furan-2-carboxamide
CID 44344731
(2-{6-[4-(2-Furoyl)-1,4-diazepan-1-yl]-2-methylpyrimidin-4-yl}ethyl)amine
CID 56716264
N-({1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl}methyl)-3-methyl-2-furamide
CID 56750818
N-({1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl}methyl)-3-methyl-2-furamide
CID 56756222
2-isobutyl-6-[5-(pyrrolidin-1-ylmethyl)-2-furoyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56759492
4-(2,5-dihydro-1H-pyrrol-1-yl)-2-(ethoxymethyl)-7-(2-furylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56886958
N-ethyl-1-[2-(2-furyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]pyrrolidine-3-carboxamide
CID 56913953

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-methylfuran-2-yl)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-methylfuran-2-yl)methanone (CID 67116476) is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methylfuran-2-yl)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-methylfuran-2-yl)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-methylfuran-2-yl)methanone is Cc1cc(C)nc(N2CC3CN(C(=O)c4occc4C)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-methylfuran-2-yl)methanone?
The InChIKey is KAKQLZPCIDXJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-4-5-24-16(11)17(23)21-7-14-9-22(10-15(14)8-21)18-19-12(2)6-13(3)20-18/h4-6,14-15H,7-10H2,1-3H3.
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-methylfuran-2-yl)methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.20, 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-methylfuran-2-yl)methanone is sourced from PubChem (CID 67116476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).