4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine

C20H22N4O2 — CID 119039239

IUPAC4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine
SMILESCc1ccc(C2CN(c3nc(-c4cccnc4)nc(C)c3C)CCO2)o1
InChIInChI=1S/C20H22N4O2/c1-13-6-7-17(26-13)18-12-24(9-10-25-18)20-14(2)15(3)22-19(23-20)16-5-4-8-21-11-16/h4-8,11,18H,9-10,12H2,1-3H3
InChIKeyKUZGVDZXZIENNY-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.63
Rot. Bonds3

About 4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine

4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine (PubChem CID 119039239) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine.

Molecular Properties

Compound Name4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine
PubChem CID119039239
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine
SMILESCc1ccc(C2CN(c3nc(-c4cccnc4)nc(C)c3C)CCO2)o1
InChIInChI=1S/C20H22N4O2/c1-13-6-7-17(26-13)18-12-24(9-10-25-18)20-14(2)15(3)22-19(23-20)16-5-4-8-21-11-16/h4-8,11,18H,9-10,12H2,1-3H3
InChIKeyKUZGVDZXZIENNY-UHFFFAOYSA-N
XLogP3.63
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine?
The IUPAC name of 4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine (CID 119039239) is 4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine.
What is the SMILES notation for 4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine?
The canonical SMILES for 4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine is Cc1ccc(C2CN(c3nc(-c4cccnc4)nc(C)c3C)CCO2)o1.
What is the InChIKey of 4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine?
The InChIKey is KUZGVDZXZIENNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-6-7-17(26-13)18-12-24(9-10-25-18)20-14(2)15(3)22-19(23-20)16-5-4-8-21-11-16/h4-8,11,18H,9-10,12H2,1-3H3.
What are the key properties of 4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine?
4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine has a molecular weight of 350.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine is sourced from PubChem (CID 119039239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).