methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate

C11H18N6O2 — CID 115279213

IUPACmethyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1nc(N)nc(N)n1
InChIInChI=1S/C11H18N6O2/c1-19-9(18)7-4-2-3-5-17(7)6-8-14-10(12)16-11(13)15-8/h7H,2-6H2,1H3,(H4,12,13,14,15,16)
InChIKeyUYEBJTLYQLQRIL-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.44
Rot. Bonds3

About methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate

methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate (PubChem CID 115279213) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate
PubChem CID115279213
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Namemethyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1nc(N)nc(N)n1
InChIInChI=1S/C11H18N6O2/c1-19-9(18)7-4-2-3-5-17(7)6-8-14-10(12)16-11(13)15-8/h7H,2-6H2,1H3,(H4,12,13,14,15,16)
InChIKeyUYEBJTLYQLQRIL-UHFFFAOYSA-N
XLogP-0.44
TPSA120.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
CID 78969711
methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate
CID 63220623
methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate
CID 79832899
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate
CID 80657147
methyl 1-[(2-amino-4-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62471193
methyl 1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-2-carboxylate
CID 45191258
methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 79833729
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate (CID 115279213) is methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1Cc1nc(N)nc(N)n1.
What is the InChIKey of methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate?
The InChIKey is UYEBJTLYQLQRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-19-9(18)7-4-2-3-5-17(7)6-8-14-10(12)16-11(13)15-8/h7H,2-6H2,1H3,(H4,12,13,14,15,16).
What are the key properties of methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate?
methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 115279213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).