[4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol

C9H10Cl2FN3O2 — CID 87758456

IUPAC[4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol
SMILESOCC1COCCN1c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C9H10Cl2FN3O2/c10-7-6(12)8(14-9(11)13-7)15-1-2-17-4-5(15)3-16/h5,16H,1-4H2
InChIKeyCHMIIZVSMCLWEV-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.12
Rot. Bonds2

About [4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol

[4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol (PubChem CID 87758456) has the molecular formula C9H10Cl2FN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is [4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol
PubChem CID87758456
Molecular FormulaC9H10Cl2FN3O2
Molecular Weight282.10 g/mol
Exact Mass281.01
IUPAC Name[4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol
SMILESOCC1COCCN1c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C9H10Cl2FN3O2/c10-7-6(12)8(14-9(11)13-7)15-1-2-17-4-5(15)3-16/h5,16H,1-4H2
InChIKeyCHMIIZVSMCLWEV-UHFFFAOYSA-N
XLogP1.12
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol?
The IUPAC name of [4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol (CID 87758456) is [4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol.
What is the SMILES notation for [4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol?
The canonical SMILES for [4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol is OCC1COCCN1c1nc(Cl)nc(Cl)c1F.
What is the InChIKey of [4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol?
The InChIKey is CHMIIZVSMCLWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FN3O2/c10-7-6(12)8(14-9(11)13-7)15-1-2-17-4-5(15)3-16/h5,16H,1-4H2.
What are the key properties of [4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol?
[4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol has a molecular weight of 282.10 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol is sourced from PubChem (CID 87758456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).