tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate

C18H29N5O3 — CID 177305919

IUPACtert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C18H29N5O3/c1-18(2,3)26-17(24)23-6-4-14(5-7-23)21-15-12-16(20-13-19-15)22-8-10-25-11-9-22/h12-14H,4-11H2,1-3H3,(H,19,20,21)
InChIKeyAJKYTIUBTIUDRV-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.12
Rot. Bonds3

About tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 177305919) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
PubChem CID177305919
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Nametert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C18H29N5O3/c1-18(2,3)26-17(24)23-6-4-14(5-7-23)21-15-12-16(20-13-19-15)22-8-10-25-11-9-22/h12-14H,4-11H2,1-3H3,(H,19,20,21)
InChIKeyAJKYTIUBTIUDRV-UHFFFAOYSA-N
XLogP2.12
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate (CID 177305919) is tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is AJKYTIUBTIUDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-18(2,3)26-17(24)23-6-4-14(5-7-23)21-15-12-16(20-13-19-15)22-8-10-25-11-9-22/h12-14H,4-11H2,1-3H3,(H,19,20,21).
What are the key properties of tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 177305919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).