(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine

C9H10Cl2FN3O — CID 155376064

IUPAC(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C9H10Cl2FN3O/c1-5-4-16-3-2-15(5)8-6(12)7(10)13-9(11)14-8/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeySYLHIVUTYZEILF-RXMQYKEDSA-N
MW266.10 g/mol
LogP2.15
Rot. Bonds1

About (3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine

(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine (PubChem CID 155376064) has the molecular formula C9H10Cl2FN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is (3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine
PubChem CID155376064
Molecular FormulaC9H10Cl2FN3O
Molecular Weight266.10 g/mol
Exact Mass265.02
IUPAC Name(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C9H10Cl2FN3O/c1-5-4-16-3-2-15(5)8-6(12)7(10)13-9(11)14-8/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeySYLHIVUTYZEILF-RXMQYKEDSA-N
XLogP2.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine?
The IUPAC name of (3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine (CID 155376064) is (3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine.
What is the SMILES notation for (3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine?
The canonical SMILES for (3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine is C[C@@H]1COCCN1c1nc(Cl)nc(Cl)c1F.
What is the InChIKey of (3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine?
The InChIKey is SYLHIVUTYZEILF-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10Cl2FN3O/c1-5-4-16-3-2-15(5)8-6(12)7(10)13-9(11)14-8/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine?
(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine has a molecular weight of 266.10 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine is sourced from PubChem (CID 155376064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).