1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol

C9H10Cl2FN3O — CID 86636974

IUPAC1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2nc(Cl)nc(Cl)c2F)C1
InChIInChI=1S/C9H10Cl2FN3O/c1-9(16)2-3-15(4-9)7-5(12)6(10)13-8(11)14-7/h16H,2-4H2,1H3
InChIKeyUNPANAGWFGDVBF-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.88
Rot. Bonds1

About 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol

1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol (PubChem CID 86636974) has the molecular formula C9H10Cl2FN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol
PubChem CID86636974
Molecular FormulaC9H10Cl2FN3O
Molecular Weight266.10 g/mol
Exact Mass265.02
IUPAC Name1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2nc(Cl)nc(Cl)c2F)C1
InChIInChI=1S/C9H10Cl2FN3O/c1-9(16)2-3-15(4-9)7-5(12)6(10)13-8(11)14-7/h16H,2-4H2,1H3
InChIKeyUNPANAGWFGDVBF-UHFFFAOYSA-N
XLogP1.88
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol (CID 86636974) is 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2nc(Cl)nc(Cl)c2F)C1.
What is the InChIKey of 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol?
The InChIKey is UNPANAGWFGDVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FN3O/c1-9(16)2-3-15(4-9)7-5(12)6(10)13-8(11)14-7/h16H,2-4H2,1H3.
What are the key properties of 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol?
1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol has a molecular weight of 266.10 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 86636974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).