1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one

C10H18FN5O — CID 58166429

IUPAC1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one
SMILESCN(C)CNc1nc(=O)n(CN(C)C)cc1F
InChIInChI=1S/C10H18FN5O/c1-14(2)6-12-9-8(11)5-16(7-15(3)4)10(17)13-9/h5H,6-7H2,1-4H3,(H,12,13,17)
InChIKeyIZGLJZVFUXZCQV-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.17
Rot. Bonds5

About 1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one

1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one (PubChem CID 58166429) has the molecular formula C10H18FN5O and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one
PubChem CID58166429
Molecular FormulaC10H18FN5O
Molecular Weight243.29 g/mol
Exact Mass243.15
IUPAC Name1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one
SMILESCN(C)CNc1nc(=O)n(CN(C)C)cc1F
InChIInChI=1S/C10H18FN5O/c1-14(2)6-12-9-8(11)5-16(7-15(3)4)10(17)13-9/h5H,6-7H2,1-4H3,(H,12,13,17)
InChIKeyIZGLJZVFUXZCQV-UHFFFAOYSA-N
XLogP-0.17
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one?
The IUPAC name of 1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one (CID 58166429) is 1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one.
What is the SMILES notation for 1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one?
The canonical SMILES for 1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one is CN(C)CNc1nc(=O)n(CN(C)C)cc1F.
What is the InChIKey of 1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one?
The InChIKey is IZGLJZVFUXZCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN5O/c1-14(2)6-12-9-8(11)5-16(7-15(3)4)10(17)13-9/h5H,6-7H2,1-4H3,(H,12,13,17).
What are the key properties of 1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one?
1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one has a molecular weight of 243.29 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]-4-[(dimethylamino)methylamino]-5-fluoropyrimidin-2-one is sourced from PubChem (CID 58166429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).