2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole

C16H21N5O — CID 126932211

IUPAC2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole
SMILESCC(C)c1cc(N2CC3CN(c4ncco4)CC3C2)ncn1
InChIInChI=1S/C16H21N5O/c1-11(2)14-5-15(19-10-18-14)20-6-12-8-21(9-13(12)7-20)16-17-3-4-22-16/h3-5,10-13H,6-9H2,1-2H3
InChIKeyCFKSWOQSGDVXHL-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.16
Rot. Bonds3

About 2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole

2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole (PubChem CID 126932211) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole
PubChem CID126932211
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole
SMILESCC(C)c1cc(N2CC3CN(c4ncco4)CC3C2)ncn1
InChIInChI=1S/C16H21N5O/c1-11(2)14-5-15(19-10-18-14)20-6-12-8-21(9-13(12)7-20)16-17-3-4-22-16/h3-5,10-13H,6-9H2,1-2H3
InChIKeyCFKSWOQSGDVXHL-UHFFFAOYSA-N
XLogP2.16
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole with MolForge

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Related Compounds

2-[2-(azepan-1-yl)ethyl]-5-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932087
2-methyl-4-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 126932259
5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932136
1-methyl-6-[[5-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]pyrimidin-2-one
CID 126932111
2-[(3-cyclopropylimidazol-4-yl)methyl]-5-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932181
4-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 72871048
N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 126931972
3-methyl-2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126932274
1-(cyclopropylmethyl)-3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-one
CID 126932276
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932019
[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone
CID 126931957
4-(3-chloro-4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine
CID 102960858

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole?
The IUPAC name of 2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole (CID 126932211) is 2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole is CC(C)c1cc(N2CC3CN(c4ncco4)CC3C2)ncn1.
What is the InChIKey of 2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole?
The InChIKey is CFKSWOQSGDVXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11(2)14-5-15(19-10-18-14)20-6-12-8-21(9-13(12)7-20)16-17-3-4-22-16/h3-5,10-13H,6-9H2,1-2H3.
What are the key properties of 2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole?
2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole has a molecular weight of 299.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole is sourced from PubChem (CID 126932211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).