4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine

C20H25N7O — CID 167784576

IUPAC4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine
SMILESCC(C)(CNc1ncnc(N2CCC(N)C2)n1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C20H25N7O/c1-20(2,16-11-28-17(25-16)14-6-4-3-5-7-14)12-22-18-23-13-24-19(26-18)27-9-8-15(21)10-27/h3-7,11,13,15H,8-10,12,21H2,1-2H3,(H,22,23,24,26)
InChIKeyJNCZEAZXQJDENI-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.45
Rot. Bonds6

About 4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine

4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine (PubChem CID 167784576) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine
PubChem CID167784576
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine
SMILESCC(C)(CNc1ncnc(N2CCC(N)C2)n1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C20H25N7O/c1-20(2,16-11-28-17(25-16)14-6-4-3-5-7-14)12-22-18-23-13-24-19(26-18)27-9-8-15(21)10-27/h3-7,11,13,15H,8-10,12,21H2,1-2H3,(H,22,23,24,26)
InChIKeyJNCZEAZXQJDENI-UHFFFAOYSA-N
XLogP2.45
TPSA105.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine (CID 167784576) is 4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine is CC(C)(CNc1ncnc(N2CCC(N)C2)n1)c1coc(-c2ccccc2)n1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine?
The InChIKey is JNCZEAZXQJDENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-20(2,16-11-28-17(25-16)14-6-4-3-5-7-14)12-22-18-23-13-24-19(26-18)27-9-8-15(21)10-27/h3-7,11,13,15H,8-10,12,21H2,1-2H3,(H,22,23,24,26).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine?
4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine has a molecular weight of 379.47 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 167784576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).