6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine

C15H21N5O — CID 80784471

IUPAC6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCc1ccccc1Nc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C15H21N5O/c1-4-7-11-8-5-6-9-12(11)17-14-18-13(16)19-15(20-14)21-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyNEHYUDQWMURPFH-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.94
Rot. Bonds6

About 6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine

6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80784471) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80784471
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCc1ccccc1Nc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C15H21N5O/c1-4-7-11-8-5-6-9-12(11)17-14-18-13(16)19-15(20-14)21-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyNEHYUDQWMURPFH-UHFFFAOYSA-N
XLogP2.94
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-ethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762007
6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80807407
2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762248
2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80794796
2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80785420
2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80800480
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80760788
2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762087
2-N-(2-bromo-5-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80830555
4-butyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106659288
2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753951

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine (CID 80784471) is 6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine is CCCc1ccccc1Nc1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NEHYUDQWMURPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-7-11-8-5-6-9-12(11)17-14-18-13(16)19-15(20-14)21-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H3,16,17,18,19,20).
What are the key properties of 6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine?
6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80784471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).