3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

C20H26N4O — CID 91764195

IUPAC3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCN(CCc4ccccc4)CC3)ncn2)C1
InChIInChI=1S/C20H26N4O/c25-18-12-17(13-18)19-14-20(22-15-21-19)24-10-8-23(9-11-24)7-6-16-4-2-1-3-5-16/h1-5,14-15,17-18,25H,6-13H2
InChIKeyPWSHQKBFXANIQV-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.08
Rot. Bonds5

About 3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91764195) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91764195
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(N3CCN(CCc4ccccc4)CC3)ncn2)C1
InChIInChI=1S/C20H26N4O/c25-18-12-17(13-18)19-14-20(22-15-21-19)24-10-8-23(9-11-24)7-6-16-4-2-1-3-5-16/h1-5,14-15,17-18,25H,6-13H2
InChIKeyPWSHQKBFXANIQV-UHFFFAOYSA-N
XLogP2.08
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 138029939
3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91796859
4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282526
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
4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829313
3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91772623
[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 91767555
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
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride
CID 154902683
1-(5-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 171337954

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91764195) is 3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(N3CCN(CCc4ccccc4)CC3)ncn2)C1.
What is the InChIKey of 3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is PWSHQKBFXANIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-18-12-17(13-18)19-14-20(22-15-21-19)24-10-8-23(9-11-24)7-6-16-4-2-1-3-5-16/h1-5,14-15,17-18,25H,6-13H2.
What are the key properties of 3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 338.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91764195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).