tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate

C14H23N5O3 — CID 135629834

IUPACtert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C14H23N5O3/c1-14(2,3)22-13(21)16-9-4-6-19(7-5-9)10-8-11(20)18-12(15)17-10/h8-9H,4-7H2,1-3H3,(H,16,21)(H3,15,17,18,20)
InChIKeyWNOAKGNKDRSMCI-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.85
Rot. Bonds2

About tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate (PubChem CID 135629834) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate
PubChem CID135629834
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Nametert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C14H23N5O3/c1-14(2,3)22-13(21)16-9-4-6-19(7-5-9)10-8-11(20)18-12(15)17-10/h8-9H,4-7H2,1-3H3,(H,16,21)(H3,15,17,18,20)
InChIKeyWNOAKGNKDRSMCI-UHFFFAOYSA-N
XLogP0.85
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate (CID 135629834) is tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2cc(=O)[nH]c(N)n2)CC1.
What is the InChIKey of tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is WNOAKGNKDRSMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-14(2,3)22-13(21)16-9-4-6-19(7-5-9)10-8-11(20)18-12(15)17-10/h8-9H,4-7H2,1-3H3,(H,16,21)(H3,15,17,18,20).
What are the key properties of tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 135629834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).