tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate

C16H28N6O4 — CID 68781601

IUPACtert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate
SMILESCOc1nc(NCCO)nc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H28N6O4/c1-16(2,3)26-15(24)22-8-5-11(6-9-22)18-13-19-12(17-7-10-23)20-14(21-13)25-4/h11,23H,5-10H2,1-4H3,(H2,17,18,19,20,21)
InChIKeyWUZRKJJNPVNZSJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.10
Rot. Bonds6

About tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate

tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 68781601) has the molecular formula C16H28N6O4 and a molecular weight of 368.44 g/mol. Its IUPAC name is tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate
PubChem CID68781601
Molecular FormulaC16H28N6O4
Molecular Weight368.44 g/mol
Exact Mass368.22
IUPAC Nametert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate
SMILESCOc1nc(NCCO)nc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H28N6O4/c1-16(2,3)26-15(24)22-8-5-11(6-9-22)18-13-19-12(17-7-10-23)20-14(21-13)25-4/h11,23H,5-10H2,1-4H3,(H2,17,18,19,20,21)
InChIKeyWUZRKJJNPVNZSJ-UHFFFAOYSA-N
XLogP1.10
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate (CID 68781601) is tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate is COc1nc(NCCO)nc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is WUZRKJJNPVNZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O4/c1-16(2,3)26-15(24)22-8-5-11(6-9-22)18-13-19-12(17-7-10-23)20-14(21-13)25-4/h11,23H,5-10H2,1-4H3,(H2,17,18,19,20,21).
What are the key properties of tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 68781601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).