4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine

C20H22N4O2 — CID 119039238

IUPAC4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine
SMILESCCc1cc(N2CCOC(c3ccc(C)o3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H22N4O2/c1-3-16-12-19(23-20(22-16)15-6-8-21-9-7-15)24-10-11-25-18(13-24)17-5-4-14(2)26-17/h4-9,12,18H,3,10-11,13H2,1-2H3
InChIKeyCPWXTMIRLZIQNW-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.58
Rot. Bonds4

About 4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine

4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine (PubChem CID 119039238) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine.

Molecular Properties

Compound Name4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine
PubChem CID119039238
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine
SMILESCCc1cc(N2CCOC(c3ccc(C)o3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H22N4O2/c1-3-16-12-19(23-20(22-16)15-6-8-21-9-7-15)24-10-11-25-18(13-24)17-5-4-14(2)26-17/h4-9,12,18H,3,10-11,13H2,1-2H3
InChIKeyCPWXTMIRLZIQNW-UHFFFAOYSA-N
XLogP3.58
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine?
The IUPAC name of 4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine (CID 119039238) is 4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine.
What is the SMILES notation for 4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine?
The canonical SMILES for 4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine is CCc1cc(N2CCOC(c3ccc(C)o3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine?
The InChIKey is CPWXTMIRLZIQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-16-12-19(23-20(22-16)15-6-8-21-9-7-15)24-10-11-25-18(13-24)17-5-4-14(2)26-17/h4-9,12,18H,3,10-11,13H2,1-2H3.
What are the key properties of 4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine?
4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine has a molecular weight of 350.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine is sourced from PubChem (CID 119039238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).