4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one

C6H8FN3O — CID 15274271

IUPAC4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one
SMILESCCNc1cc(F)[nH]c(=O)n1
InChIInChI=1S/C6H8FN3O/c1-2-8-5-3-4(7)9-6(11)10-5/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyMIIGVNDZSIBHIG-UHFFFAOYSA-N
MW157.15 g/mol
LogP0.34
Rot. Bonds2

About 4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one

4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one (PubChem CID 15274271) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one
PubChem CID15274271
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one
SMILESCCNc1cc(F)[nH]c(=O)n1
InChIInChI=1S/C6H8FN3O/c1-2-8-5-3-4(7)9-6(11)10-5/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyMIIGVNDZSIBHIG-UHFFFAOYSA-N
XLogP0.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one (CID 15274271) is 4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one is CCNc1cc(F)[nH]c(=O)n1.
What is the InChIKey of 4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one?
The InChIKey is MIIGVNDZSIBHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c1-2-8-5-3-4(7)9-6(11)10-5/h3H,2H2,1H3,(H2,8,9,10,11).
What are the key properties of 4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one?
4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one has a molecular weight of 157.15 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 15274271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).