6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane

C6H10FN3O — CID 142546478

IUPAC6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane
SMILESCF.Cc1cnc(=O)[nH]c1N
InChIInChI=1S/C5H7N3O.CH3F/c1-3-2-7-5(9)8-4(3)6;1-2/h2H,1H3,(H3,6,7,8,9);1H3
InChIKeyYALWEEZYQKEECY-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.25
Rot. Bonds

About 6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane

6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane (PubChem CID 142546478) has the molecular formula C6H10FN3O and a molecular weight of 159.16 g/mol. Its IUPAC name is 6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane.

Molecular Properties

Compound Name6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane
PubChem CID142546478
Molecular FormulaC6H10FN3O
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC Name6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane
SMILESCF.Cc1cnc(=O)[nH]c1N
InChIInChI=1S/C5H7N3O.CH3F/c1-3-2-7-5(9)8-4(3)6;1-2/h2H,1H3,(H3,6,7,8,9);1H3
InChIKeyYALWEEZYQKEECY-UHFFFAOYSA-N
XLogP0.25
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane?
The IUPAC name of 6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane (CID 142546478) is 6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane.
What is the SMILES notation for 6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane?
The canonical SMILES for 6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane is CF.Cc1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane?
The InChIKey is YALWEEZYQKEECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.CH3F/c1-3-2-7-5(9)8-4(3)6;1-2/h2H,1H3,(H3,6,7,8,9);1H3.
What are the key properties of 6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane?
6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane has a molecular weight of 159.16 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane is sourced from PubChem (CID 142546478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).