4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine

C19H24ClN5O2 — CID 166271319

IUPAC4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCCc1c(Cl)nc(C2CCC2)nc1N1CCOC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C19H24ClN5O2/c1-2-13-15(20)21-16(11-4-3-5-11)22-18(13)25-8-9-26-14(10-25)17-23-19(27-24-17)12-6-7-12/h11-12,14H,2-10H2,1H3
InChIKeyVSKOZWJTBMJWJG-UHFFFAOYSA-N
MW389.89 g/mol
LogP3.80
Rot. Bonds5

About 4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine

4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 166271319) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID166271319
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCCc1c(Cl)nc(C2CCC2)nc1N1CCOC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C19H24ClN5O2/c1-2-13-15(20)21-16(11-4-3-5-11)22-18(13)25-8-9-26-14(10-25)17-23-19(27-24-17)12-6-7-12/h11-12,14H,2-10H2,1H3
InChIKeyVSKOZWJTBMJWJG-UHFFFAOYSA-N
XLogP3.80
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of 4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine (CID 166271319) is 4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for 4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine is CCc1c(Cl)nc(C2CCC2)nc1N1CCOC(c2noc(C3CC3)n2)C1.
What is the InChIKey of 4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is VSKOZWJTBMJWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-2-13-15(20)21-16(11-4-3-5-11)22-18(13)25-8-9-26-14(10-25)17-23-19(27-24-17)12-6-7-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine?
4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 389.89 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 166271319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).