4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine

C19H28N6O — CID 46980393

IUPAC4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine
SMILESc1nc(N2CCOCC2)ncc1-c1cncn1CCCN1CCCCC1
InChIInChI=1S/C19H28N6O/c1-2-5-23(6-3-1)7-4-8-25-16-20-15-18(25)17-13-21-19(22-14-17)24-9-11-26-12-10-24/h13-16H,1-12H2
InChIKeyHYTMOFBAICEIOH-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.05
Rot. Bonds6

About 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine

4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine (PubChem CID 46980393) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine
PubChem CID46980393
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine
SMILESc1nc(N2CCOCC2)ncc1-c1cncn1CCCN1CCCCC1
InChIInChI=1S/C19H28N6O/c1-2-5-23(6-3-1)7-4-8-25-16-20-15-18(25)17-13-21-19(22-14-17)24-9-11-26-12-10-24/h13-16H,1-12H2
InChIKeyHYTMOFBAICEIOH-UHFFFAOYSA-N
XLogP2.05
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine (CID 46980393) is 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine is c1nc(N2CCOCC2)ncc1-c1cncn1CCCN1CCCCC1.
What is the InChIKey of 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine?
The InChIKey is HYTMOFBAICEIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-2-5-23(6-3-1)7-4-8-25-16-20-15-18(25)17-13-21-19(22-14-17)24-9-11-26-12-10-24/h13-16H,1-12H2.
What are the key properties of 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine?
4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine has a molecular weight of 356.47 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46980393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).