3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol

C18H22N4O — CID 91772623

IUPAC3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCC(c4ccncc4)CC3)ncn2)C1
InChIInChI=1S/C18H22N4O/c23-16-9-15(10-16)17-11-18(21-12-20-17)22-7-3-14(4-8-22)13-1-5-19-6-2-13/h1-2,5-6,11-12,14-16,23H,3-4,7-10H2
InChIKeyDFXUABLGFLYCGX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.49
Rot. Bonds3

About 3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol

3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91772623) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91772623
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCC(c4ccncc4)CC3)ncn2)C1
InChIInChI=1S/C18H22N4O/c23-16-9-15(10-16)17-11-18(21-12-20-17)22-7-3-14(4-8-22)13-1-5-19-6-2-13/h1-2,5-6,11-12,14-16,23H,3-4,7-10H2
InChIKeyDFXUABLGFLYCGX-UHFFFAOYSA-N
XLogP2.49
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol
CID 91776992
3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91783807
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91775817
3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91788147
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91764195
3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91770488
[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 91767555
1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 126848783
3-[6-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91792058
3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
CID 91782421

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (CID 91772623) is 3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(N3CCC(c4ccncc4)CC3)ncn2)C1.
What is the InChIKey of 3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is DFXUABLGFLYCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-16-9-15(10-16)17-11-18(21-12-20-17)22-7-3-14(4-8-22)13-1-5-19-6-2-13/h1-2,5-6,11-12,14-16,23H,3-4,7-10H2.
What are the key properties of 3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91772623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).