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

C7H10FN3O — CID 166556696

IUPAC4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C7H10FN3O/c1-2-3-9-7-10-5(8)4-6(12)11-7/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyUUANVTQCOZIEFD-UHFFFAOYSA-N
MW171.18 g/mol
LogP0.73
Rot. Bonds3

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

4-fluoro-2-(propylamino)-1H-pyrimidin-6-one (PubChem CID 166556696) has the molecular formula C7H10FN3O and a molecular weight of 171.18 g/mol. Its IUPAC name is 4-fluoro-2-(propylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
PubChem CID166556696
Molecular FormulaC7H10FN3O
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC Name4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C7H10FN3O/c1-2-3-9-7-10-5(8)4-6(12)11-7/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyUUANVTQCOZIEFD-UHFFFAOYSA-N
XLogP0.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-6-(dimethylamino)pyrimidin-4-ol
CID 135442218
2-(Dimethylamino)pyrimidin-4-ol
CID 817200
6-Amino-2-(methylamino)pyrimidin-4-ol
CID 135455590
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
4-Amino-2-dimethylamino-6-hydroxypyrimidine
CID 135431314
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
2-(Propylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388272
2-Butylamino-5-fluoro-1-methylpyrimidin-4 (1h)-one
CID 21577894
2-(Methylamino)-3,4-dihydropyrimidin-4-one
CID 14803475
2-Butylamino-5-fluoro-3-methylpyrimidin-4(3h)-one
CID 129744055
4-Hydroxy-2-isopropylamino-pyrimidine
CID 1404214
2-(butylamino)-1H-pyrimidin-6-one
CID 2069400

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(propylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-fluoro-2-(propylamino)-1H-pyrimidin-6-one (CID 166556696) is 4-fluoro-2-(propylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-fluoro-2-(propylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-fluoro-2-(propylamino)-1H-pyrimidin-6-one is CCCNc1nc(F)cc(=O)[nH]1.
What is the InChIKey of 4-fluoro-2-(propylamino)-1H-pyrimidin-6-one?
The InChIKey is UUANVTQCOZIEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-2-3-9-7-10-5(8)4-6(12)11-7/h4H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-fluoro-2-(propylamino)-1H-pyrimidin-6-one?
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one has a molecular weight of 171.18 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(propylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 166556696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).