4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one

C6H8FN3O — CID 136952182

IUPAC4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1nc(N)c(F)c(=O)[nH]1
InChIInChI=1S/C6H8FN3O/c1-2-3-9-5(8)4(7)6(11)10-3/h2H2,1H3,(H3,8,9,10,11)
InChIKeySXWPYCZYFUWXTN-UHFFFAOYSA-N
MW157.15 g/mol
LogP0.05
Rot. Bonds1

About 4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one

4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one (PubChem CID 136952182) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one
PubChem CID136952182
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one
SMILESCCc1nc(N)c(F)c(=O)[nH]1
InChIInChI=1S/C6H8FN3O/c1-2-3-9-5(8)4(7)6(11)10-3/h2H2,1H3,(H3,8,9,10,11)
InChIKeySXWPYCZYFUWXTN-UHFFFAOYSA-N
XLogP0.05
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 6-amino-2,5-dimethyl-
CID 135592941
5-Fluoro-2,6-dimethylpyrimidin-4(1h)-one
CID 135416969
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136076214
5-Fluoro-2-methylpyrimidine-4,6-diol
CID 233895
2-Ethyl-5-fluoropyrimidin-4(1H)-one
CID 45080158
4,6-Dihydroxy-2-ethyl-5-fluoropyrimidine
CID 55275470
5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one
CID 67476784
6-amino-5-fluoro-2-methyl-1H-pyrimidin-4-one
CID 135415817
4(3H)-Pyrimidinone, 6-fluoro-2-methyl-(8CI)
CID 135618098
6-Chloro-5-fluoro-2-methylpyrimidin-4-ol
CID 135638420
4-fluoro-2-methyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136458161
4-bromo-2-ethyl-5-fluoro-1H-pyrimidin-6-one
CID 141472903

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one (CID 136952182) is 4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one is CCc1nc(N)c(F)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is SXWPYCZYFUWXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c1-2-3-9-5(8)4(7)6(11)10-3/h2H2,1H3,(H3,8,9,10,11).
What are the key properties of 4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one?
4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 157.15 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 136952182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).