4-(3-fluoropropylamino)-1H-pyrimidin-6-one

C7H10FN3O — CID 137270960

IUPAC4-(3-fluoropropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCF)nc[nH]1
InChIInChI=1S/C7H10FN3O/c8-2-1-3-9-6-4-7(12)11-5-10-6/h4-5H,1-3H2,(H2,9,10,11,12)
InChIKeyZMVMSRUVQCICEZ-UHFFFAOYSA-N
MW171.18 g/mol
LogP0.54
Rot. Bonds4

About 4-(3-fluoropropylamino)-1H-pyrimidin-6-one

4-(3-fluoropropylamino)-1H-pyrimidin-6-one (PubChem CID 137270960) has the molecular formula C7H10FN3O and a molecular weight of 171.18 g/mol. Its IUPAC name is 4-(3-fluoropropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-fluoropropylamino)-1H-pyrimidin-6-one
PubChem CID137270960
Molecular FormulaC7H10FN3O
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC Name4-(3-fluoropropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCF)nc[nH]1
InChIInChI=1S/C7H10FN3O/c8-2-1-3-9-6-4-7(12)11-5-10-6/h4-5H,1-3H2,(H2,9,10,11,12)
InChIKeyZMVMSRUVQCICEZ-UHFFFAOYSA-N
XLogP0.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Amino-1H-pyrimidin-4-one
CID 135431272
6-(Methylamino)pyrimidin-4-ol
CID 135481447
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
3-Methyl-6-(methylamino)-4(3H)-pyrimidinone
CID 55288147
6-(Dimethylamino)-4(3H)-pyrimidinone
CID 135755308
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-Fluoro-6-hydroxypyrimidine
CID 135608329
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
2-Amino-6-(propylamino)pyrimidin-4(1h)-one
CID 135408601
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
6-Fluoro-2-(methylamino)-4(1H)-pyrimidinone
CID 135454089
4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728230

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-fluoropropylamino)-1H-pyrimidin-6-one (CID 137270960) is 4-(3-fluoropropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-fluoropropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-fluoropropylamino)-1H-pyrimidin-6-one is O=c1cc(NCCCF)nc[nH]1.
What is the InChIKey of 4-(3-fluoropropylamino)-1H-pyrimidin-6-one?
The InChIKey is ZMVMSRUVQCICEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c8-2-1-3-9-6-4-7(12)11-5-10-6/h4-5H,1-3H2,(H2,9,10,11,12).
What are the key properties of 4-(3-fluoropropylamino)-1H-pyrimidin-6-one?
4-(3-fluoropropylamino)-1H-pyrimidin-6-one has a molecular weight of 171.18 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137270960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).