4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride

C16H20ClN3O — CID 70170771

IUPAC4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride
SMILESCl.c1ccc(CCc2cncnc2N2CCOCC2)cc1
InChIInChI=1S/C16H19N3O.ClH/c1-2-4-14(5-3-1)6-7-15-12-17-13-18-16(15)19-8-10-20-11-9-19;/h1-5,12-13H,6-11H2;1H
InChIKeyBNWYHOVHUGTXNE-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.52
Rot. Bonds4

About 4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride

4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride (PubChem CID 70170771) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride
PubChem CID70170771
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride
SMILESCl.c1ccc(CCc2cncnc2N2CCOCC2)cc1
InChIInChI=1S/C16H19N3O.ClH/c1-2-4-14(5-3-1)6-7-15-12-17-13-18-16(15)19-8-10-20-11-9-19;/h1-5,12-13H,6-11H2;1H
InChIKeyBNWYHOVHUGTXNE-UHFFFAOYSA-N
XLogP2.52
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride?
The IUPAC name of 4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride (CID 70170771) is 4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride.
What is the SMILES notation for 4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride?
The canonical SMILES for 4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride is Cl.c1ccc(CCc2cncnc2N2CCOCC2)cc1.
What is the InChIKey of 4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride?
The InChIKey is BNWYHOVHUGTXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c1-2-4-14(5-3-1)6-7-15-12-17-13-18-16(15)19-8-10-20-11-9-19;/h1-5,12-13H,6-11H2;1H.
What are the key properties of 4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride?
4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride is sourced from PubChem (CID 70170771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).