6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine

C7H10FN3O — CID 118072294

IUPAC6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine
SMILESCOc1c(N)ncnc1C(C)F
InChIInChI=1S/C7H10FN3O/c1-4(8)5-6(12-2)7(9)11-3-10-5/h3-4H,1-2H3,(H2,9,10,11)
InChIKeyAJELEXRPBPKFDB-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.10
Rot. Bonds2

About 6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine

6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine (PubChem CID 118072294) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine
PubChem CID118072294
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine
SMILESCOc1c(N)ncnc1C(C)F
InChIInChI=1S/C7H10FN3O/c1-4(8)5-6(12-2)7(9)11-3-10-5/h3-4H,1-2H3,(H2,9,10,11)
InChIKeyAJELEXRPBPKFDB-UHFFFAOYSA-N
XLogP1.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine?
The IUPAC name of 6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine (CID 118072294) is 6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine?
The canonical SMILES for 6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine is COc1c(N)ncnc1C(C)F.
What is the InChIKey of 6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine?
The InChIKey is AJELEXRPBPKFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-4(8)5-6(12-2)7(9)11-3-10-5/h3-4H,1-2H3,(H2,9,10,11).
What are the key properties of 6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine?
6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine has a molecular weight of 171.17 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 118072294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).