(4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid

C5H2Cl2FN3O2 — CID 172754486

IUPAC(4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid
SMILESO=C(O)Nc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C5H2Cl2FN3O2/c6-2-1(8)3(7)10-4(9-2)11-5(12)13/h(H,12,13)(H,9,10,11)
InChIKeyKVEPXZQWVDBOLR-UHFFFAOYSA-N
MW225.99 g/mol
LogP2.01
Rot. Bonds1

About (4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid

(4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid (PubChem CID 172754486) has the molecular formula C5H2Cl2FN3O2 and a molecular weight of 225.99 g/mol. Its IUPAC name is (4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid.

Molecular Properties

Compound Name(4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid
PubChem CID172754486
Molecular FormulaC5H2Cl2FN3O2
Molecular Weight225.99 g/mol
Exact Mass224.95
IUPAC Name(4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid
SMILESO=C(O)Nc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C5H2Cl2FN3O2/c6-2-1(8)3(7)10-4(9-2)11-5(12)13/h(H,12,13)(H,9,10,11)
InChIKeyKVEPXZQWVDBOLR-UHFFFAOYSA-N
XLogP2.01
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.99
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid?
The IUPAC name of (4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid (CID 172754486) is (4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid.
What is the SMILES notation for (4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid?
The canonical SMILES for (4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid is O=C(O)Nc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of (4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid?
The InChIKey is KVEPXZQWVDBOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2FN3O2/c6-2-1(8)3(7)10-4(9-2)11-5(12)13/h(H,12,13)(H,9,10,11).
What are the key properties of (4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid?
(4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid has a molecular weight of 225.99 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-5-fluoropyrimidin-2-yl)carbamic acid is sourced from PubChem (CID 172754486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).