[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate

C15H19N5O3 — CID 25462028

IUPAC[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCc2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C15H19N5O3/c1-10-5-4-6-11(7-10)22-9-13(21)23-8-12-17-14(16)19-15(18-12)20(2)3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyUAUSAMPHUKBCAC-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.95
Rot. Bonds6

About [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate (PubChem CID 25462028) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
PubChem CID25462028
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCc2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C15H19N5O3/c1-10-5-4-6-11(7-10)22-9-13(21)23-8-12-17-14(16)19-15(18-12)20(2)3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyUAUSAMPHUKBCAC-UHFFFAOYSA-N
XLogP0.95
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
CID 7754352
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-phenoxyacetate
CID 9416576
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 42577122
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 25463220
propyl 2-(3-methylphenoxy)acetate
CID 78907736
N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide
CID 119346030
2-N,2-N-dimethyl-6-[1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 42894550
2-N,2-N-dimethyl-6-[(1S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 34722791
(3,5-dimethylphenyl) 2-(3-methylphenoxy)acetate
CID 19167596
(3,3-dimethyl-2-oxobutyl) 2-(3-methylphenoxy)acetate
CID 2358385
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate
CID 25316797
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate?
The IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate (CID 25462028) is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate?
The canonical SMILES for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OCc2nc(N)nc(N(C)C)n2)c1.
What is the InChIKey of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate?
The InChIKey is UAUSAMPHUKBCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-5-4-6-11(7-10)22-9-13(21)23-8-12-17-14(16)19-15(18-12)20(2)3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate?
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate has a molecular weight of 317.35 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 25462028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).