5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one

C10H16FN3O — CID 142964904

IUPAC5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
SMILESCCCCCN(C)c1nc[nH]c(=O)c1F
InChIInChI=1S/C10H16FN3O/c1-3-4-5-6-14(2)9-8(11)10(15)13-7-12-9/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyPXBKMGSWDIQUTR-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.54
Rot. Bonds5

About 5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one

5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one (PubChem CID 142964904) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
PubChem CID142964904
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
SMILESCCCCCN(C)c1nc[nH]c(=O)c1F
InChIInChI=1S/C10H16FN3O/c1-3-4-5-6-14(2)9-8(11)10(15)13-7-12-9/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyPXBKMGSWDIQUTR-UHFFFAOYSA-N
XLogP1.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one (CID 142964904) is 5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one is CCCCCN(C)c1nc[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is PXBKMGSWDIQUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-3-4-5-6-14(2)9-8(11)10(15)13-7-12-9/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 213.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 142964904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).