4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde

C14H17N5O3 — CID 30834017

IUPAC4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C14H17N5O3/c1-19(2)14-17-12(16-13(15)18-14)8-22-10-5-4-9(7-20)6-11(10)21-3/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyLIAQGJLRACZEJF-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.92
Rot. Bonds6

About 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde

4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde (PubChem CID 30834017) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde
PubChem CID30834017
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C14H17N5O3/c1-19(2)14-17-12(16-13(15)18-14)8-22-10-5-4-9(7-20)6-11(10)21-3/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyLIAQGJLRACZEJF-UHFFFAOYSA-N
XLogP0.92
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 161274505
3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde
CID 28782536
3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 71670258
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 2446566
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2899329

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde?
The IUPAC name of 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde (CID 30834017) is 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OCc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde?
The InChIKey is LIAQGJLRACZEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-19(2)14-17-12(16-13(15)18-14)8-22-10-5-4-9(7-20)6-11(10)21-3/h4-7H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde?
4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde has a molecular weight of 303.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 30834017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).