2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

C20H31N5O2 — CID 126932309

IUPAC2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCC(C)(C)c1cc(N2CC3CN(C(=O)NC4CCOCC4)CC3C2)ncn1
InChIInChI=1S/C20H31N5O2/c1-20(2,3)17-8-18(22-13-21-17)24-9-14-11-25(12-15(14)10-24)19(26)23-16-4-6-27-7-5-16/h8,13-16H,4-7,9-12H2,1-3H3,(H,23,26)
InChIKeyMQWZWOHOOKMPNJ-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.03
Rot. Bonds2

About 2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 126932309) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID126932309
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCC(C)(C)c1cc(N2CC3CN(C(=O)NC4CCOCC4)CC3C2)ncn1
InChIInChI=1S/C20H31N5O2/c1-20(2,3)17-8-18(22-13-21-17)24-9-14-11-25(12-15(14)10-24)19(26)23-16-4-6-27-7-5-16/h8,13-16H,4-7,9-12H2,1-3H3,(H,23,26)
InChIKeyMQWZWOHOOKMPNJ-UHFFFAOYSA-N
XLogP2.03
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide 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
[2-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(oxan-4-yl)methanone
CID 126932633
[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,3-thiazol-4-yl)methanone
CID 126932335
[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 126932331
[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 126932330
[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 126932287
[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126932312
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 126850002
6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylpyridazin-3-one
CID 126932283
6-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-2-propan-2-ylpyridazin-3-one
CID 126932338
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 126849999
2-[[5-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126932438

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of 2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 126932309) is 2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for 2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for 2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is CC(C)(C)c1cc(N2CC3CN(C(=O)NC4CCOCC4)CC3C2)ncn1.
What is the InChIKey of 2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is MQWZWOHOOKMPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-20(2,3)17-8-18(22-13-21-17)24-9-14-11-25(12-15(14)10-24)19(26)23-16-4-6-27-7-5-16/h8,13-16H,4-7,9-12H2,1-3H3,(H,23,26).
What are the key properties of 2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butylpyrimidin-4-yl)-N-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 126932309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).