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

C6H8FN3O — CID 135506826

IUPAC2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one
SMILESCCNc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C6H8FN3O/c1-2-8-6-9-4(7)3-5(11)10-6/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyNFPWRQFHERSNRX-UHFFFAOYSA-N
MW157.15 g/mol
LogP0.34
Rot. Bonds2

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

2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one (PubChem CID 135506826) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one
PubChem CID135506826
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one
SMILESCCNc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C6H8FN3O/c1-2-8-6-9-4(7)3-5(11)10-6/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyNFPWRQFHERSNRX-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 2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one (CID 135506826) is 2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one is CCNc1nc(F)cc(=O)[nH]1.
What is the InChIKey of 2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one?
The InChIKey is NFPWRQFHERSNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c1-2-8-6-9-4(7)3-5(11)10-6/h3H,2H2,1H3,(H2,8,9,10,11).
What are the key properties of 2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one?
2-(ethylamino)-4-fluoro-1H-pyrimidin-6-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 2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 135506826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).