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

C17H26N4O — CID 91778077

IUPAC3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N2CC(N3CCCCC3)C2)n1
InChIInChI=1S/C17H26N4O/c1-12-18-16(13-7-15(22)8-13)9-17(19-12)21-10-14(11-21)20-5-3-2-4-6-20/h9,13-15,22H,2-8,10-11H2,1H3
InChIKeyXSPJSWPPHRGMCT-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.70
Rot. Bonds3

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

3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91778077) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91778077
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N2CC(N3CCCCC3)C2)n1
InChIInChI=1S/C17H26N4O/c1-12-18-16(13-7-15(22)8-13)9-17(19-12)21-10-14(11-21)20-5-3-2-4-6-20/h9,13-15,22H,2-8,10-11H2,1H3
InChIKeyXSPJSWPPHRGMCT-UHFFFAOYSA-N
XLogP1.70
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-3-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl}cyclobutanol
CID 91770488
trans-4-{[1-(2-Methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino}cyclohexanol
CID 72849212
cis-3-[2-Amino-6-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl}amino)pyrimidin-4-yl]cyclobutanol
CID 91779721
1-(2-{[6-(3-Hydroxycyclobutyl)-2-methylpyrimidin-4-YL]amino}ethyl)piperidin-4-OL
CID 91762966
3-[2-Methyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutanol
CID 91763236
cis-3-(2-amino-6-{[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91766054
cis-3-{2-Methyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91769498
3-{6-[4-(2-Oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91769834
3-[2-Amino-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutanol
CID 91773002
3-(2-Methyl-6-{[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91773337
5-{4-[6-(cis-3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl}-2-methylpyridazin-3(2H)-one
CID 91785832
3-{6-[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl}cyclobutanol
CID 91797710

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (CID 91778077) is 3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(C2CC(O)C2)cc(N2CC(N3CCCCC3)C2)n1.
What is the InChIKey of 3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is XSPJSWPPHRGMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12-18-16(13-7-15(22)8-13)9-17(19-12)21-10-14(11-21)20-5-3-2-4-6-20/h9,13-15,22H,2-8,10-11H2,1H3.
What are the key properties of 3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 302.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91778077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).