3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol

C18H23N5O2 — CID 91762248

IUPAC3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-12-21-16(13-9-14(24)10-13)11-17(22-12)23-7-3-15(4-8-23)25-18-19-5-2-6-20-18/h2,5-6,11,13-15,24H,3-4,7-10H2,1H3
InChIKeyCIWXMSPBFXWQKA-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.86
Rot. Bonds4

About 3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol

3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91762248) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91762248
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-12-21-16(13-9-14(24)10-13)11-17(22-12)23-7-3-15(4-8-23)25-18-19-5-2-6-20-18/h2,5-6,11,13-15,24H,3-4,7-10H2,1H3
InChIKeyCIWXMSPBFXWQKA-UHFFFAOYSA-N
XLogP1.86
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (CID 91762248) is 3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(C2CC(O)C2)cc(N2CCC(Oc3ncccn3)CC2)n1.
What is the InChIKey of 3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is CIWXMSPBFXWQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-21-16(13-9-14(24)10-13)11-17(22-12)23-7-3-15(4-8-23)25-18-19-5-2-6-20-18/h2,5-6,11,13-15,24H,3-4,7-10H2,1H3.
What are the key properties of 3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 341.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91762248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).