tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate

C19H26FN5O2 — CID 123624300

IUPACtert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCc1cncc2cnc(NCC3(F)CCCN(C(=O)OC(C)(C)C)C3)nc12
InChIInChI=1S/C19H26FN5O2/c1-13-8-21-9-14-10-22-16(24-15(13)14)23-11-19(20)6-5-7-25(12-19)17(26)27-18(2,3)4/h8-10H,5-7,11-12H2,1-4H3,(H,22,23,24)
InChIKeyUOLDYEOPYQKYTH-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.48
Rot. Bonds3

About tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate

tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 123624300) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
PubChem CID123624300
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC Nametert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCc1cncc2cnc(NCC3(F)CCCN(C(=O)OC(C)(C)C)C3)nc12
InChIInChI=1S/C19H26FN5O2/c1-13-8-21-9-14-10-22-16(24-15(13)14)23-11-19(20)6-5-7-25(12-19)17(26)27-18(2,3)4/h8-10H,5-7,11-12H2,1-4H3,(H,22,23,24)
InChIKeyUOLDYEOPYQKYTH-UHFFFAOYSA-N
XLogP3.48
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate (CID 123624300) is tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate is Cc1cncc2cnc(NCC3(F)CCCN(C(=O)OC(C)(C)C)C3)nc12.
What is the InChIKey of tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is UOLDYEOPYQKYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O2/c1-13-8-21-9-14-10-22-16(24-15(13)14)23-11-19(20)6-5-7-25(12-19)17(26)27-18(2,3)4/h8-10H,5-7,11-12H2,1-4H3,(H,22,23,24).
What are the key properties of tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-3-[[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 123624300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).