4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

C16H28N6 — CID 167830308

IUPAC4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCC[C@H]3CN(C)C[C@H]32)n1
InChIInChI=1S/C16H28N6/c1-11(2)14-17-15(20(3)4)19-16(18-14)22-8-6-7-12-9-21(5)10-13(12)22/h11-13H,6-10H2,1-5H3/t12-,13+/m0/s1
InChIKeySOSUWHSEPUVNAG-QWHCGFSZSA-N
MW304.44 g/mol
LogP1.59
Rot. Bonds3

About 4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 167830308) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID167830308
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCC[C@H]3CN(C)C[C@H]32)n1
InChIInChI=1S/C16H28N6/c1-11(2)14-17-15(20(3)4)19-16(18-14)22-8-6-7-12-9-21(5)10-13(12)22/h11-13H,6-10H2,1-5H3/t12-,13+/m0/s1
InChIKeySOSUWHSEPUVNAG-QWHCGFSZSA-N
XLogP1.59
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 167830308) is 4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N(C)C)nc(N2CCC[C@H]3CN(C)C[C@H]32)n1.
What is the InChIKey of 4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is SOSUWHSEPUVNAG-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H28N6/c1-11(2)14-17-15(20(3)4)19-16(18-14)22-8-6-7-12-9-21(5)10-13(12)22/h11-13H,6-10H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of 4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 304.44 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 167830308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).