2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol

C15H21N5O — CID 10708431

IUPAC2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
SMILESCCCC(CO)Nc1nc(C)nc(Nc2ccccc2)n1
InChIInChI=1S/C15H21N5O/c1-3-7-13(10-21)19-15-17-11(2)16-14(20-15)18-12-8-5-4-6-9-12/h4-6,8-9,13,21H,3,7,10H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyJOZHYFVTOWFRCX-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.50
Rot. Bonds7

About 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol

2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol (PubChem CID 10708431) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
PubChem CID10708431
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
SMILESCCCC(CO)Nc1nc(C)nc(Nc2ccccc2)n1
InChIInChI=1S/C15H21N5O/c1-3-7-13(10-21)19-15-17-11(2)16-14(20-15)18-12-8-5-4-6-9-12/h4-6,8-9,13,21H,3,7,10H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyJOZHYFVTOWFRCX-UHFFFAOYSA-N
XLogP2.50
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol?
The IUPAC name of 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol (CID 10708431) is 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol is CCCC(CO)Nc1nc(C)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol?
The InChIKey is JOZHYFVTOWFRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-7-13(10-21)19-15-17-11(2)16-14(20-15)18-12-8-5-4-6-9-12/h4-6,8-9,13,21H,3,7,10H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol?
2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol has a molecular weight of 287.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 10708431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).