tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate

C14H22N4O3 — CID 71095525

IUPACtert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)18-8-5-10(6-9-18)16-12-15-7-4-11(19)17-12/h4,7,10H,5-6,8-9H2,1-3H3,(H2,15,16,17,19)
InChIKeyWYZXHIRIRUTQEN-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.58
Rot. Bonds2

About tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 71095525) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate
PubChem CID71095525
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Nametert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)18-8-5-10(6-9-18)16-12-15-7-4-11(19)17-12/h4,7,10H,5-6,8-9H2,1-3H3,(H2,15,16,17,19)
InChIKeyWYZXHIRIRUTQEN-UHFFFAOYSA-N
XLogP1.58
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate (CID 71095525) is tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2nccc(=O)[nH]2)CC1.
What is the InChIKey of tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is WYZXHIRIRUTQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)18-8-5-10(6-9-18)16-12-15-7-4-11(19)17-12/h4,7,10H,5-6,8-9H2,1-3H3,(H2,15,16,17,19).
What are the key properties of tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 71095525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).