2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate

C9H14N6O2 — CID 23463406

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNc1nc(N)nc(N)n1
InChIInChI=1S/C9H14N6O2/c1-5(2)6(16)17-4-3-12-9-14-7(10)13-8(11)15-9/h1,3-4H2,2H3,(H5,10,11,12,13,14,15)
InChIKeyDWJLFWCGQAVESL-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.43
Rot. Bonds5

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate

2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 23463406) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate
PubChem CID23463406
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNc1nc(N)nc(N)n1
InChIInChI=1S/C9H14N6O2/c1-5(2)6(16)17-4-3-12-9-14-7(10)13-8(11)15-9/h1,3-4H2,2H3,(H5,10,11,12,13,14,15)
InChIKeyDWJLFWCGQAVESL-UHFFFAOYSA-N
XLogP-0.43
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4,6-diamino-1,3,5-triazin-2-yl)-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 23463405
2-(4-methylanilino)ethyl 2-methylprop-2-enoate
CID 59166790
2-(iodoamino)ethyl 2-methylprop-2-enoate
CID 144974054
2-[[4-amino-6-[4-[tris[4-[[4-(2-acetyloxyethylamino)-6-amino-1,3,5-triazin-2-yl]amino]phenyl]methyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl acetate
CID 139180800
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-(4-ethylanilino)ethyl 2-methylprop-2-enoate
CID 57248614
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626
2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 66827300
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
CID 87287527

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate (CID 23463406) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNc1nc(N)nc(N)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is DWJLFWCGQAVESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-5(2)6(16)17-4-3-12-9-14-7(10)13-8(11)15-9/h1,3-4H2,2H3,(H5,10,11,12,13,14,15).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate?
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 238.25 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 23463406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).