4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one

C8H10FN3O — CID 58166432

IUPAC4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one
SMILESNc1nc(=O)n(CC2CC2)cc1F
InChIInChI=1S/C8H10FN3O/c9-6-4-12(3-5-1-2-5)8(13)11-7(6)10/h4-5H,1-3H2,(H2,10,11,13)
InChIKeyOLVGMUBANQULCN-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.37
Rot. Bonds2

About 4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one

4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one (PubChem CID 58166432) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one
PubChem CID58166432
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one
SMILESNc1nc(=O)n(CC2CC2)cc1F
InChIInChI=1S/C8H10FN3O/c9-6-4-12(3-5-1-2-5)8(13)11-7(6)10/h4-5H,1-3H2,(H2,10,11,13)
InChIKeyOLVGMUBANQULCN-UHFFFAOYSA-N
XLogP0.37
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one (CID 58166432) is 4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one is Nc1nc(=O)n(CC2CC2)cc1F.
What is the InChIKey of 4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one?
The InChIKey is OLVGMUBANQULCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c9-6-4-12(3-5-1-2-5)8(13)11-7(6)10/h4-5H,1-3H2,(H2,10,11,13).
What are the key properties of 4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one?
4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one has a molecular weight of 183.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one is sourced from PubChem (CID 58166432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).