6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione

C19H24N6O2 — CID 126933724

IUPAC6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CC3CN(c4cc(C5CCC5)ncn4)CC3C2)[nH]c1=O
InChIInChI=1S/C19H24N6O2/c1-23-18(26)6-17(22-19(23)27)25-9-13-7-24(8-14(13)10-25)16-5-15(20-11-21-16)12-3-2-4-12/h5-6,11-14H,2-4,7-10H2,1H3,(H,22,27)
InChIKeyUXNPGVSQIKAUFC-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.70
Rot. Bonds3

About 6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione

6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 126933724) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID126933724
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CC3CN(c4cc(C5CCC5)ncn4)CC3C2)[nH]c1=O
InChIInChI=1S/C19H24N6O2/c1-23-18(26)6-17(22-19(23)27)25-9-13-7-24(8-14(13)10-25)16-5-15(20-11-21-16)12-3-2-4-12/h5-6,11-14H,2-4,7-10H2,1H3,(H,22,27)
InChIKeyUXNPGVSQIKAUFC-UHFFFAOYSA-N
XLogP0.70
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[2-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126932656
5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163352817
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
6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 56770229
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
5-(6-cyclopropylpyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126858092
4-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 126933715
5-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole
CID 126933714
2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole
CID 126933813
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
4-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,3-oxazole
CID 126933779
5-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2,4-oxadiazole
CID 126933770

Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 126933724) is 6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CC3CN(c4cc(C5CCC5)ncn4)CC3C2)[nH]c1=O.
What is the InChIKey of 6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is UXNPGVSQIKAUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-23-18(26)6-17(22-19(23)27)25-9-13-7-24(8-14(13)10-25)16-5-15(20-11-21-16)12-3-2-4-12/h5-6,11-14H,2-4,7-10H2,1H3,(H,22,27).
What are the key properties of 6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione?
6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 368.44 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126933724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).