3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine

C20H26N4O — CID 91767649

IUPAC3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
SMILESNC1CC(c2cc(N3CCC(OCc4ccccc4)CC3)ncn2)C1
InChIInChI=1S/C20H26N4O/c21-17-10-16(11-17)19-12-20(23-14-22-19)24-8-6-18(7-9-24)25-13-15-4-2-1-3-5-15/h1-5,12,14,16-18H,6-11,13,21H2
InChIKeyPKTUIVLOFQKCLP-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.87
Rot. Bonds5

About 3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine

3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91767649) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91767649
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
SMILESNC1CC(c2cc(N3CCC(OCc4ccccc4)CC3)ncn2)C1
InChIInChI=1S/C20H26N4O/c21-17-10-16(11-17)19-12-20(23-14-22-19)24-8-6-18(7-9-24)25-13-15-4-2-1-3-5-15/h1-5,12,14,16-18H,6-11,13,21H2
InChIKeyPKTUIVLOFQKCLP-UHFFFAOYSA-N
XLogP2.87
TPSA64.27 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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine (CID 91767649) is 3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine is NC1CC(c2cc(N3CCC(OCc4ccccc4)CC3)ncn2)C1.
What is the InChIKey of 3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is PKTUIVLOFQKCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c21-17-10-16(11-17)19-12-20(23-14-22-19)24-8-6-18(7-9-24)25-13-15-4-2-1-3-5-15/h1-5,12,14,16-18H,6-11,13,21H2.
What are the key properties of 3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine?
3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 338.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-phenylmethoxypiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91767649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).