3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C20H25N3O2 — CID 91765368

IUPAC3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NCC3(c4ccccc4)CCOCC3)ncn2)C1
InChIInChI=1S/C20H25N3O2/c24-17-10-15(11-17)18-12-19(23-14-22-18)21-13-20(6-8-25-9-7-20)16-4-2-1-3-5-16/h1-5,12,14-15,17,24H,6-11,13H2,(H,21,22,23)
InChIKeySYIFYSKGNJWCIH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.88
Rot. Bonds5

About 3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91765368) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91765368
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NCC3(c4ccccc4)CCOCC3)ncn2)C1
InChIInChI=1S/C20H25N3O2/c24-17-10-15(11-17)18-12-19(23-14-22-18)21-13-20(6-8-25-9-7-20)16-4-2-1-3-5-16/h1-5,12,14-15,17,24H,6-11,13H2,(H,21,22,23)
InChIKeySYIFYSKGNJWCIH-UHFFFAOYSA-N
XLogP2.88
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Trans-4-{[2-(Butylamino)-5-(Pyridin-2-Yl)pyrimidin-4-Yl]amino}cyclohexanol
CID 71819732
4-[[2-(Butylamino)-5-[5-[(cyclohexylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792907
4-[[2-(Butylamino)-5-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792909
(1R)-1-phenyl-2-[[6-(4-propan-2-ylphenyl)pyrimidin-4-yl]amino]ethanol
CID 44204626
2-[[6-(4-Ethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918569
2-[[6-(4-Tert-butylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918619
4-[[4-[4-(Cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 67984037
trans-4-((2-(Butylamino)-5-(4-(morpholinomethyl)pyridin-2-yl)pyrimidin-4-yl)amino)cyclohexanol
CID 72792560
4-[[2-(Butylamino)-5-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792563
4-[[2-(Butylamino)-5-[5-[(cyclopropylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792908
trans-4-((2-(Methylamino)-5-(pyridin-2-yl)pyrimidin-4-yl)amino)cyclohexanol
CID 72793046
4-[[2-(Ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793047

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91765368) is 3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(NCC3(c4ccccc4)CCOCC3)ncn2)C1.
What is the InChIKey of 3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is SYIFYSKGNJWCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-17-10-15(11-17)18-12-19(23-14-22-18)21-13-20(6-8-25-9-7-20)16-4-2-1-3-5-16/h1-5,12,14-15,17,24H,6-11,13H2,(H,21,22,23).
What are the key properties of 3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 339.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(4-phenyloxan-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91765368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).