methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate

C11H18N6O2 — CID 80798765

IUPACmethyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate
SMILESCOC(=O)CCNc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C11H18N6O2/c1-19-8(18)4-5-13-10-14-9(12)15-11(16-10)17-6-2-3-7-17/h2-7H2,1H3,(H3,12,13,14,15,16)
InChIKeyWICVHTUWQVSTFL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.03
Rot. Bonds5

About methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate

methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate (PubChem CID 80798765) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate
PubChem CID80798765
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Namemethyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate
SMILESCOC(=O)CCNc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C11H18N6O2/c1-19-8(18)4-5-13-10-14-9(12)15-11(16-10)17-6-2-3-7-17/h2-7H2,1H3,(H3,12,13,14,15,16)
InChIKeyWICVHTUWQVSTFL-UHFFFAOYSA-N
XLogP0.03
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate with MolForge

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Related Compounds

2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
methyl 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798771
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248707
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
CID 80784562
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
CID 80783513
6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
CID 104767021
3-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122048209
2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769992
2-N-(2-methoxy-2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 104767252

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate (CID 80798765) is methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate is COC(=O)CCNc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate?
The InChIKey is WICVHTUWQVSTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-19-8(18)4-5-13-10-14-9(12)15-11(16-10)17-6-2-3-7-17/h2-7H2,1H3,(H3,12,13,14,15,16).
What are the key properties of methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate?
methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate has a molecular weight of 266.30 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate is sourced from PubChem (CID 80798765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).