4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide

C11H15FN4O2 — CID 84597644

IUPAC4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide
SMILESCCc1ncnc(N2CCOCC2C(N)=O)c1F
InChIInChI=1S/C11H15FN4O2/c1-2-7-9(12)11(15-6-14-7)16-3-4-18-5-8(16)10(13)17/h6,8H,2-5H2,1H3,(H2,13,17)
InChIKeySLVDOJFVVFJHPA-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.13
Rot. Bonds3

About 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide

4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide (PubChem CID 84597644) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide
PubChem CID84597644
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide
SMILESCCc1ncnc(N2CCOCC2C(N)=O)c1F
InChIInChI=1S/C11H15FN4O2/c1-2-7-9(12)11(15-6-14-7)16-3-4-18-5-8(16)10(13)17/h6,8H,2-5H2,1H3,(H2,13,17)
InChIKeySLVDOJFVVFJHPA-UHFFFAOYSA-N
XLogP-0.13
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide?
The IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide (CID 84597644) is 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide is CCc1ncnc(N2CCOCC2C(N)=O)c1F.
What is the InChIKey of 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide?
The InChIKey is SLVDOJFVVFJHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-2-7-9(12)11(15-6-14-7)16-3-4-18-5-8(16)10(13)17/h6,8H,2-5H2,1H3,(H2,13,17).
What are the key properties of 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide?
4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide has a molecular weight of 254.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide is sourced from PubChem (CID 84597644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).