2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

C8H10FN3O2 — CID 80550788

IUPAC2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESNC(c1nc(O)c(F)c(=O)[nH]1)C1CC1
InChIInChI=1S/C8H10FN3O2/c9-4-7(13)11-6(12-8(4)14)5(10)3-1-2-3/h3,5H,1-2,10H2,(H2,11,12,13,14)
InChIKeyFUMPHMZXVHRTCM-UHFFFAOYSA-N
MW199.19 g/mol
LogP0.02
Rot. Bonds2

About 2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 80550788) has the molecular formula C8H10FN3O2 and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID80550788
Molecular FormulaC8H10FN3O2
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC Name2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESNC(c1nc(O)c(F)c(=O)[nH]1)C1CC1
InChIInChI=1S/C8H10FN3O2/c9-4-7(13)11-6(12-8(4)14)5(10)3-1-2-3/h3,5H,1-2,10H2,(H2,11,12,13,14)
InChIKeyFUMPHMZXVHRTCM-UHFFFAOYSA-N
XLogP0.02
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 80550788) is 2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is NC(c1nc(O)c(F)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FUMPHMZXVHRTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c9-4-7(13)11-6(12-8(4)14)5(10)3-1-2-3/h3,5H,1-2,10H2,(H2,11,12,13,14).
What are the key properties of 2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 199.19 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 80550788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).