4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

C16H27N5O — CID 133421235

IUPAC4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCC3OCCCC3C2)n1
InChIInChI=1S/C16H27N5O/c1-11(2)14-17-15(20(3)4)19-16(18-14)21-8-7-13-12(10-21)6-5-9-22-13/h11-13H,5-10H2,1-4H3
InChIKeyQYIORIURVCTLQI-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.07
Rot. Bonds3

About 4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133421235) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133421235
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCC3OCCCC3C2)n1
InChIInChI=1S/C16H27N5O/c1-11(2)14-17-15(20(3)4)19-16(18-14)21-8-7-13-12(10-21)6-5-9-22-13/h11-13H,5-10H2,1-4H3
InChIKeyQYIORIURVCTLQI-UHFFFAOYSA-N
XLogP2.07
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-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-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133421235) is 4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N(C)C)nc(N2CCC3OCCCC3C2)n1.
What is the InChIKey of 4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is QYIORIURVCTLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-11(2)14-17-15(20(3)4)19-16(18-14)21-8-7-13-12(10-21)6-5-9-22-13/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 305.43 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 133421235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).