[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone

C15H19N5O2 — CID 146104114

IUPAC[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone
SMILESCC(C)(C)c1cnc(C(=O)N2CC(c3ccnc(N)n3)C2)o1
InChIInChI=1S/C15H19N5O2/c1-15(2,3)11-6-18-12(22-11)13(21)20-7-9(8-20)10-4-5-17-14(16)19-10/h4-6,9H,7-8H2,1-3H3,(H2,16,17,19)
InChIKeyLPWRFEFDDVNPAF-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.58
Rot. Bonds2

About [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone

[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone (PubChem CID 146104114) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone
PubChem CID146104114
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone
SMILESCC(C)(C)c1cnc(C(=O)N2CC(c3ccnc(N)n3)C2)o1
InChIInChI=1S/C15H19N5O2/c1-15(2,3)11-6-18-12(22-11)13(21)20-7-9(8-20)10-4-5-17-14(16)19-10/h4-6,9H,7-8H2,1-3H3,(H2,16,17,19)
InChIKeyLPWRFEFDDVNPAF-UHFFFAOYSA-N
XLogP1.58
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone with MolForge

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Related Compounds

[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone
CID 167823649
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 155959216
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324
1-[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-2-phenylethanone
CID 95844946
(5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone
CID 110833104
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 138009191
(5-tert-butyl-1,3-oxazol-2-yl)-(1,4-diazepan-1-yl)methanone
CID 110833105
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone
CID 167929183

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone (CID 146104114) is [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone is CC(C)(C)c1cnc(C(=O)N2CC(c3ccnc(N)n3)C2)o1.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone?
The InChIKey is LPWRFEFDDVNPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-15(2,3)11-6-18-12(22-11)13(21)20-7-9(8-20)10-4-5-17-14(16)19-10/h4-6,9H,7-8H2,1-3H3,(H2,16,17,19).
What are the key properties of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone?
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 146104114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).