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

C21H28N6O — CID 126932276

IUPAC1-(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
SMILESCC(C)c1cc(N2CC3CN(c4nccn(CC5CC5)c4=O)CC3C2)ncn1
InChIInChI=1S/C21H28N6O/c1-14(2)18-7-19(24-13-23-18)26-9-16-11-27(12-17(16)10-26)20-21(28)25(6-5-22-20)8-15-3-4-15/h5-7,13-17H,3-4,8-12H2,1-2H3
InChIKeyHOGIECNJXYGOQN-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.14
Rot. Bonds5

About 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

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 (PubChem CID 126932276) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID126932276
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name1-(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
SMILESCC(C)c1cc(N2CC3CN(c4nccn(CC5CC5)c4=O)CC3C2)ncn1
InChIInChI=1S/C21H28N6O/c1-14(2)18-7-19(24-13-23-18)26-9-16-11-27(12-17(16)10-26)20-21(28)25(6-5-22-20)8-15-3-4-15/h5-7,13-17H,3-4,8-12H2,1-2H3
InChIKeyHOGIECNJXYGOQN-UHFFFAOYSA-N
XLogP2.14
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

N-cyclopentyl-2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 126931972
1-methyl-3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridin-2-one
CID 126931947
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
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-[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
4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 163351027
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
2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one
CID 126932264
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
3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one
CID 126931975
3-[3-(chloromethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 55184247

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(N2CC3CN(c4nccn(CC5CC5)c4=O)CC3C2)ncn1.
What is the InChIKey of 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?
The InChIKey is HOGIECNJXYGOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-14(2)18-7-19(24-13-23-18)26-9-16-11-27(12-17(16)10-26)20-21(28)25(6-5-22-20)8-15-3-4-15/h5-7,13-17H,3-4,8-12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 380.50 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126932276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).