4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile

C11H13FN4O — CID 103880094

IUPAC4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile
SMILESCCc1ncnc(N2CCOC(C#N)C2)c1F
InChIInChI=1S/C11H13FN4O/c1-2-9-10(12)11(15-7-14-9)16-3-4-17-8(5-13)6-16/h7-8H,2-4,6H2,1H3
InChIKeyHJRNQYCHVDJCLE-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.91
Rot. Bonds2

About 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile

4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile (PubChem CID 103880094) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile
PubChem CID103880094
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile
SMILESCCc1ncnc(N2CCOC(C#N)C2)c1F
InChIInChI=1S/C11H13FN4O/c1-2-9-10(12)11(15-7-14-9)16-3-4-17-8(5-13)6-16/h7-8H,2-4,6H2,1H3
InChIKeyHJRNQYCHVDJCLE-UHFFFAOYSA-N
XLogP0.91
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
CID 80837574
4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile
CID 80849282
(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332145
4-quinazolin-4-ylmorpholine-2-carbonitrile
CID 78946478
4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine
CID 125138301
4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile
CID 104924211
4-[5-(chloromethyl)-3-methyl-2-pyridinyl]morpholine-2-carbonitrile
CID 80629448
4-(6-amino-5-nitropyrimidin-4-yl)morpholine-2-carbonitrile
CID 80850134
4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
CID 105366531
4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
CID 79674262
1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
CID 106832557
3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 133419744

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile?
The IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile (CID 103880094) is 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile is CCc1ncnc(N2CCOC(C#N)C2)c1F.
What is the InChIKey of 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile?
The InChIKey is HJRNQYCHVDJCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-2-9-10(12)11(15-7-14-9)16-3-4-17-8(5-13)6-16/h7-8H,2-4,6H2,1H3.
What are the key properties of 4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile?
4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile has a molecular weight of 236.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 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-2-carbonitrile is sourced from PubChem (CID 103880094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).