tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate

C12H18N4O3 — CID 166160967

IUPACtert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2nccc(N)n2)COC1
InChIInChI=1S/C12H18N4O3/c1-11(2,3)19-10(17)16-12(6-18-7-12)9-14-5-4-8(13)15-9/h4-5H,6-7H2,1-3H3,(H,16,17)(H2,13,14,15)
InChIKeyPKPRFRJOMSTPIC-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.81
Rot. Bonds2

About tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate

tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate (PubChem CID 166160967) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate
PubChem CID166160967
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nametert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2nccc(N)n2)COC1
InChIInChI=1S/C12H18N4O3/c1-11(2,3)19-10(17)16-12(6-18-7-12)9-14-5-4-8(13)15-9/h4-5H,6-7H2,1-3H3,(H,16,17)(H2,13,14,15)
InChIKeyPKPRFRJOMSTPIC-UHFFFAOYSA-N
XLogP0.81
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate
CID 166161006
tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate
CID 177175531
tert-butyl N-[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamate
CID 66606109
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
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tert-butyl N-[3-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]oxetan-3-yl]carbamate
CID 123491341
tert-butyl N-[1-[4-(5-amino-3-chloropyrazin-2-yl)phenyl]cyclobutyl]carbamate
CID 56954771
tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate
CID 129242449
tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
CID 53216208
tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate
CID 11075458
tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate
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CID 153291320

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate (CID 166160967) is tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate is CC(C)(C)OC(=O)NC1(c2nccc(N)n2)COC1.
What is the InChIKey of tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate?
The InChIKey is PKPRFRJOMSTPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-11(2,3)19-10(17)16-12(6-18-7-12)9-14-5-4-8(13)15-9/h4-5H,6-7H2,1-3H3,(H,16,17)(H2,13,14,15).
What are the key properties of tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate?
tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate is sourced from PubChem (CID 166160967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).