6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine

C18H27N5O — CID 9353849

IUPAC6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CC(C)(C)c1ccc(OCc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C18H27N5O/c1-17(2,3)11-18(4,5)12-6-8-13(9-7-12)24-10-14-21-15(19)23-16(20)22-14/h6-9H,10-11H2,1-5H3,(H4,19,20,21,22,23)
InChIKeyVWQMZJBDYCELIV-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.33
Rot. Bonds5

About 6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine

6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 9353849) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID9353849
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CC(C)(C)c1ccc(OCc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C18H27N5O/c1-17(2,3)11-18(4,5)12-6-8-13(9-7-12)24-10-14-21-15(19)23-16(20)22-14/h6-9H,10-11H2,1-5H3,(H4,19,20,21,22,23)
InChIKeyVWQMZJBDYCELIV-UHFFFAOYSA-N
XLogP3.33
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
CID 9137806
6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 9137860
2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetonitrile
CID 22688446
1-(4-bromobutoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 63499116
potassium trifluoro-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]boranuide
CID 63703366
1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-one
CID 43411675
ethane;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol;hydrate
CID 144516438
1,3,5-tris[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 139243319
1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine
CID 107506531
2-methyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile
CID 43367422
2-methyl-1-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]propan-2-amine;hydrochloride
CID 173054273
ethyl 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetate
CID 17065223

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine (CID 9353849) is 6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine is CC(C)(C)CC(C)(C)c1ccc(OCc2nc(N)nc(N)n2)cc1.
What is the InChIKey of 6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is VWQMZJBDYCELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-17(2,3)11-18(4,5)12-6-8-13(9-7-12)24-10-14-21-15(19)23-16(20)22-14/h6-9H,10-11H2,1-5H3,(H4,19,20,21,22,23).
What are the key properties of 6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine?
6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 329.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 9353849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).