[4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate

C11H6ClF2N3O2 — CID 175590753

IUPAC[4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate
SMILESNC(=O)Oc1c(Cl)ncnc1-c1cc(F)ccc1F
InChIInChI=1S/C11H6ClF2N3O2/c12-10-9(19-11(15)18)8(16-4-17-10)6-3-5(13)1-2-7(6)14/h1-4H,(H2,15,18)
InChIKeyXPKBJYRFJHPDTQ-UHFFFAOYSA-N
MW285.64 g/mol
LogP2.53
Rot. Bonds2

About [4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate

[4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate (PubChem CID 175590753) has the molecular formula C11H6ClF2N3O2 and a molecular weight of 285.64 g/mol. Its IUPAC name is [4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate.

Molecular Properties

Compound Name[4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate
PubChem CID175590753
Molecular FormulaC11H6ClF2N3O2
Molecular Weight285.64 g/mol
Exact Mass285.01
IUPAC Name[4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate
SMILESNC(=O)Oc1c(Cl)ncnc1-c1cc(F)ccc1F
InChIInChI=1S/C11H6ClF2N3O2/c12-10-9(19-11(15)18)8(16-4-17-10)6-3-5(13)1-2-7(6)14/h1-4H,(H2,15,18)
InChIKeyXPKBJYRFJHPDTQ-UHFFFAOYSA-N
XLogP2.53
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.64
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate?
The IUPAC name of [4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate (CID 175590753) is [4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate.
What is the SMILES notation for [4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate?
The canonical SMILES for [4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate is NC(=O)Oc1c(Cl)ncnc1-c1cc(F)ccc1F.
What is the InChIKey of [4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate?
The InChIKey is XPKBJYRFJHPDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2N3O2/c12-10-9(19-11(15)18)8(16-4-17-10)6-3-5(13)1-2-7(6)14/h1-4H,(H2,15,18).
What are the key properties of [4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate?
[4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate has a molecular weight of 285.64 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-(2,5-difluorophenyl)pyrimidin-5-yl] carbamate is sourced from PubChem (CID 175590753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).