3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

C17H23N5O — CID 91797710

IUPAC3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(C)n(C2CN(c3cc(C4CC(O)C4)nc(C)n3)C2)n1
InChIInChI=1S/C17H23N5O/c1-10-4-11(2)22(20-10)14-8-21(9-14)17-7-16(18-12(3)19-17)13-5-15(23)6-13/h4,7,13-15,23H,5-6,8-9H2,1-3H3
InChIKeyWBSMVZXMBUAYAL-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.90
Rot. Bonds3

About 3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91797710) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91797710
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(C)n(C2CN(c3cc(C4CC(O)C4)nc(C)n3)C2)n1
InChIInChI=1S/C17H23N5O/c1-10-4-11(2)22(20-10)14-8-21(9-14)17-7-16(18-12(3)19-17)13-5-15(23)6-13/h4,7,13-15,23H,5-6,8-9H2,1-3H3
InChIKeyWBSMVZXMBUAYAL-UHFFFAOYSA-N
XLogP1.90
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (CID 91797710) is 3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is Cc1cc(C)n(C2CN(c3cc(C4CC(O)C4)nc(C)n3)C2)n1.
What is the InChIKey of 3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is WBSMVZXMBUAYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-10-4-11(2)22(20-10)14-8-21(9-14)17-7-16(18-12(3)19-17)13-5-15(23)6-13/h4,7,13-15,23H,5-6,8-9H2,1-3H3.
What are the key properties of 3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 313.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91797710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).