N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine

C18H25N5 — CID 75437990

IUPACN,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CC(C)C2c2ccccc2)n1
InChIInChI=1S/C18H25N5/c1-12(2)16-19-17(22(4)5)21-18(20-16)23-11-13(3)15(23)14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3
InChIKeyVYUGGJDZSWQGNT-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.26
Rot. Bonds4

About N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine

N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 75437990) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID75437990
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CC(C)C2c2ccccc2)n1
InChIInChI=1S/C18H25N5/c1-12(2)16-19-17(22(4)5)21-18(20-16)23-11-13(3)15(23)14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3
InChIKeyVYUGGJDZSWQGNT-UHFFFAOYSA-N
XLogP3.26
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 75437990) is N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N(C)C)nc(N2CC(C)C2c2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is VYUGGJDZSWQGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-12(2)16-19-17(22(4)5)21-18(20-16)23-11-13(3)15(23)14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3.
What are the key properties of N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 311.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-methyl-2-phenylazetidin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 75437990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).