[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid

C8H10FN3O3 — CID 54198489

IUPAC[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid
SMILESCOc1cc(CF)nc(N(C)C(=O)O)n1
InChIInChI=1S/C8H10FN3O3/c1-12(8(13)14)7-10-5(4-9)3-6(11-7)15-2/h3H,4H2,1-2H3,(H,13,14)
InChIKeyPNNMIXDTZFMQNH-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.07
Rot. Bonds3

About [4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid

[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid (PubChem CID 54198489) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is [4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid
PubChem CID54198489
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid
SMILESCOc1cc(CF)nc(N(C)C(=O)O)n1
InChIInChI=1S/C8H10FN3O3/c1-12(8(13)14)7-10-5(4-9)3-6(11-7)15-2/h3H,4H2,1-2H3,(H,13,14)
InChIKeyPNNMIXDTZFMQNH-UHFFFAOYSA-N
XLogP1.07
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid?
The IUPAC name of [4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid (CID 54198489) is [4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid.
What is the SMILES notation for [4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid?
The canonical SMILES for [4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid is COc1cc(CF)nc(N(C)C(=O)O)n1.
What is the InChIKey of [4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid?
The InChIKey is PNNMIXDTZFMQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c1-12(8(13)14)7-10-5(4-9)3-6(11-7)15-2/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of [4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid?
[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid has a molecular weight of 215.18 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)-6-methoxypyrimidin-2-yl]-methylcarbamic acid is sourced from PubChem (CID 54198489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).