1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione

C10H10FN5O2 — CID 80654827

IUPAC1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESCc1cc(N)nc(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H10FN5O2/c1-5-2-7(12)14-8(13-5)4-16-3-6(11)9(17)15-10(16)18/h2-3H,4H2,1H3,(H2,12,13,14)(H,15,17,18)
InChIKeyABUILELASFZARZ-UHFFFAOYSA-N
MW251.22 g/mol
LogP-0.60
Rot. Bonds2

About 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione

1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 80654827) has the molecular formula C10H10FN5O2 and a molecular weight of 251.22 g/mol. Its IUPAC name is 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID80654827
Molecular FormulaC10H10FN5O2
Molecular Weight251.22 g/mol
Exact Mass251.08
IUPAC Name1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESCc1cc(N)nc(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H10FN5O2/c1-5-2-7(12)14-8(13-5)4-16-3-6(11)9(17)15-10(16)18/h2-3H,4H2,1H3,(H2,12,13,14)(H,15,17,18)
InChIKeyABUILELASFZARZ-UHFFFAOYSA-N
XLogP-0.60
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione (CID 80654827) is 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione is Cc1cc(N)nc(Cn2cc(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is ABUILELASFZARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O2/c1-5-2-7(12)14-8(13-5)4-16-3-6(11)9(17)15-10(16)18/h2-3H,4H2,1H3,(H2,12,13,14)(H,15,17,18).
What are the key properties of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione?
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 251.22 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 80654827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).