(3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

C19H30N6O — CID 50977618

IUPAC(3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCNc1ncc(CN(C)C(=O)[C@@]23CNC[C@@H]2CN(C2CCCC2)C3)cn1
InChIInChI=1S/C19H30N6O/c1-20-18-22-7-14(8-23-18)10-24(2)17(26)19-12-21-9-15(19)11-25(13-19)16-5-3-4-6-16/h7-8,15-16,21H,3-6,9-13H2,1-2H3,(H,20,22,23)/t15-,19-/m1/s1
InChIKeyZKSXDQDGLYEYRL-DNVCBOLYSA-N
MW358.49 g/mol
LogP0.94
Rot. Bonds5

About (3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 50977618) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is (3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID50977618
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name(3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCNc1ncc(CN(C)C(=O)[C@@]23CNC[C@@H]2CN(C2CCCC2)C3)cn1
InChIInChI=1S/C19H30N6O/c1-20-18-22-7-14(8-23-18)10-24(2)17(26)19-12-21-9-15(19)11-25(13-19)16-5-3-4-6-16/h7-8,15-16,21H,3-6,9-13H2,1-2H3,(H,20,22,23)/t15-,19-/m1/s1
InChIKeyZKSXDQDGLYEYRL-DNVCBOLYSA-N
XLogP0.94
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 50977618) is (3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is CNc1ncc(CN(C)C(=O)[C@@]23CNC[C@@H]2CN(C2CCCC2)C3)cn1.
What is the InChIKey of (3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is ZKSXDQDGLYEYRL-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-20-18-22-7-14(8-23-18)10-24(2)17(26)19-12-21-9-15(19)11-25(13-19)16-5-3-4-6-16/h7-8,15-16,21H,3-6,9-13H2,1-2H3,(H,20,22,23)/t15-,19-/m1/s1.
What are the key properties of (3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-cyclopentyl-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 50977618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).