3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

C19H24N4O2 — CID 91788663

IUPAC3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cccc(C)c1OC1CN(c2cc(C3CC(O)C3)nc(N)n2)C1
InChIInChI=1S/C19H24N4O2/c1-11-4-3-5-12(2)18(11)25-15-9-23(10-15)17-8-16(21-19(20)22-17)13-6-14(24)7-13/h3-5,8,13-15,24H,6-7,9-10H2,1-2H3,(H2,20,21,22)
InChIKeyYXRXJXWOEYEUBC-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.18
Rot. Bonds4

About 3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91788663) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91788663
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cccc(C)c1OC1CN(c2cc(C3CC(O)C3)nc(N)n2)C1
InChIInChI=1S/C19H24N4O2/c1-11-4-3-5-12(2)18(11)25-15-9-23(10-15)17-8-16(21-19(20)22-17)13-6-14(24)7-13/h3-5,8,13-15,24H,6-7,9-10H2,1-2H3,(H2,20,21,22)
InChIKeyYXRXJXWOEYEUBC-UHFFFAOYSA-N
XLogP2.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91788663) is 3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is Cc1cccc(C)c1OC1CN(c2cc(C3CC(O)C3)nc(N)n2)C1.
What is the InChIKey of 3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is YXRXJXWOEYEUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11-4-3-5-12(2)18(11)25-15-9-23(10-15)17-8-16(21-19(20)22-17)13-6-14(24)7-13/h3-5,8,13-15,24H,6-7,9-10H2,1-2H3,(H2,20,21,22).
What are the key properties of 3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 340.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[3-(2,6-dimethylphenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91788663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).