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

C18H26N6O2 — CID 50948185

IUPAC(3aR,6aR)-5-(cyclopropanecarbonyl)-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(C(=O)C2CC2)C3)cn1
InChIInChI=1S/C18H26N6O2/c1-19-17-21-5-12(6-22-17)8-23(2)16(26)18-10-20-7-14(18)9-24(11-18)15(25)13-3-4-13/h5-6,13-14,20H,3-4,7-11H2,1-2H3,(H,19,21,22)/t14-,18-/m1/s1
InChIKeyNTLLVMMJRKMDNR-RDTXWAMCSA-N
MW358.45 g/mol
LogP-0.07
Rot. Bonds5

About (3aR,6aR)-5-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 50948185) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is (3aR,6aR)-5-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID50948185
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name(3aR,6aR)-5-(cyclopropanecarbonyl)-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(C(=O)C2CC2)C3)cn1
InChIInChI=1S/C18H26N6O2/c1-19-17-21-5-12(6-22-17)8-23(2)16(26)18-10-20-7-14(18)9-24(11-18)15(25)13-3-4-13/h5-6,13-14,20H,3-4,7-11H2,1-2H3,(H,19,21,22)/t14-,18-/m1/s1
InChIKeyNTLLVMMJRKMDNR-RDTXWAMCSA-N
XLogP-0.07
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-5-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 50948185) is (3aR,6aR)-5-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-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(C(=O)C2CC2)C3)cn1.
What is the InChIKey of (3aR,6aR)-5-(cyclopropanecarbonyl)-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 NTLLVMMJRKMDNR-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-19-17-21-5-12(6-22-17)8-23(2)16(26)18-10-20-7-14(18)9-24(11-18)15(25)13-3-4-13/h5-6,13-14,20H,3-4,7-11H2,1-2H3,(H,19,21,22)/t14-,18-/m1/s1.
What are the key properties of (3aR,6aR)-5-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-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 358.45 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(cyclopropanecarbonyl)-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 50948185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).