methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate

C10H17N5O3 — CID 114284118

IUPACmethyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate
SMILESCCC(Nc1nc(NC)nc(OC)n1)C(=O)OC
InChIInChI=1S/C10H17N5O3/c1-5-6(7(16)17-3)12-9-13-8(11-2)14-10(15-9)18-4/h6H,5H2,1-4H3,(H2,11,12,13,14,15)
InChIKeyHMOBGSYRJXNICC-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.29
Rot. Bonds6

About methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate

methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate (PubChem CID 114284118) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate
PubChem CID114284118
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Namemethyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate
SMILESCCC(Nc1nc(NC)nc(OC)n1)C(=O)OC
InChIInChI=1S/C10H17N5O3/c1-5-6(7(16)17-3)12-9-13-8(11-2)14-10(15-9)18-4/h6H,5H2,1-4H3,(H2,11,12,13,14,15)
InChIKeyHMOBGSYRJXNICC-UHFFFAOYSA-N
XLogP0.29
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate with MolForge

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Related Compounds

2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 114154537
ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate
CID 80843895
2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805678
N-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80897706
2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80840573
methyl (2S)-2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]butanoate
CID 20788736
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 115409503
6-methoxy-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174661
2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868576
N-ethyl-2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80800941
6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80785763

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate?
The IUPAC name of methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate (CID 114284118) is methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate.
What is the SMILES notation for methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate?
The canonical SMILES for methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate is CCC(Nc1nc(NC)nc(OC)n1)C(=O)OC.
What is the InChIKey of methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate?
The InChIKey is HMOBGSYRJXNICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-5-6(7(16)17-3)12-9-13-8(11-2)14-10(15-9)18-4/h6H,5H2,1-4H3,(H2,11,12,13,14,15).
What are the key properties of methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate?
methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate has a molecular weight of 255.28 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate is sourced from PubChem (CID 114284118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).