tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate

C15H23N5O3 — CID 121409062

IUPACtert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncc(N)c(C(N)=O)n2)CC1
InChIInChI=1S/C15H23N5O3/c1-15(2,3)23-14(22)20-6-4-9(5-7-20)13-18-8-10(16)11(19-13)12(17)21/h8-9H,4-7,16H2,1-3H3,(H2,17,21)
InChIKeyNYPUVNKMWIAMFO-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.27
Rot. Bonds2

About tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate (PubChem CID 121409062) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate
PubChem CID121409062
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Nametert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncc(N)c(C(N)=O)n2)CC1
InChIInChI=1S/C15H23N5O3/c1-15(2,3)23-14(22)20-6-4-9(5-7-20)13-18-8-10(16)11(19-13)12(17)21/h8-9H,4-7,16H2,1-3H3,(H2,17,21)
InChIKeyNYPUVNKMWIAMFO-UHFFFAOYSA-N
XLogP1.27
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate (CID 121409062) is tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ncc(N)c(C(N)=O)n2)CC1.
What is the InChIKey of tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate?
The InChIKey is NYPUVNKMWIAMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-15(2,3)23-14(22)20-6-4-9(5-7-20)13-18-8-10(16)11(19-13)12(17)21/h8-9H,4-7,16H2,1-3H3,(H2,17,21).
What are the key properties of tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-amino-4-carbamoylpyrimidin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 121409062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).