N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine

C12H20N4O — CID 118552350

IUPACN-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine
SMILESCOc1cc(C(C)(C)C)nc(NC2CNC2)n1
InChIInChI=1S/C12H20N4O/c1-12(2,3)9-5-10(17-4)16-11(15-9)14-8-6-13-7-8/h5,8,13H,6-7H2,1-4H3,(H,14,15,16)
InChIKeyWFHFJQZOSOUVSS-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.17
Rot. Bonds3

About N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine

N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine (PubChem CID 118552350) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine
PubChem CID118552350
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine
SMILESCOc1cc(C(C)(C)C)nc(NC2CNC2)n1
InChIInChI=1S/C12H20N4O/c1-12(2,3)9-5-10(17-4)16-11(15-9)14-8-6-13-7-8/h5,8,13H,6-7H2,1-4H3,(H,14,15,16)
InChIKeyWFHFJQZOSOUVSS-UHFFFAOYSA-N
XLogP1.17
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine (CID 118552350) is N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine is COc1cc(C(C)(C)C)nc(NC2CNC2)n1.
What is the InChIKey of N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine?
The InChIKey is WFHFJQZOSOUVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2,3)9-5-10(17-4)16-11(15-9)14-8-6-13-7-8/h5,8,13H,6-7H2,1-4H3,(H,14,15,16).
What are the key properties of N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine?
N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-tert-butyl-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 118552350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).