2-fluoro-1,5-dimethyl-2H-pyrimidine

C6H9FN2 — CID 146392525

IUPAC2-fluoro-1,5-dimethyl-2H-pyrimidine
SMILESCC1=CN(C)C(F)N=C1
InChIInChI=1S/C6H9FN2/c1-5-3-8-6(7)9(2)4-5/h3-4,6H,1-2H3
InChIKeyATMRBBXYKRCUPE-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.16
Rot. Bonds

About 2-fluoro-1,5-dimethyl-2H-pyrimidine

2-fluoro-1,5-dimethyl-2H-pyrimidine (PubChem CID 146392525) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 2-fluoro-1,5-dimethyl-2H-pyrimidine.

Molecular Properties

Compound Name2-fluoro-1,5-dimethyl-2H-pyrimidine
PubChem CID146392525
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name2-fluoro-1,5-dimethyl-2H-pyrimidine
SMILESCC1=CN(C)C(F)N=C1
InChIInChI=1S/C6H9FN2/c1-5-3-8-6(7)9(2)4-5/h3-4,6H,1-2H3
InChIKeyATMRBBXYKRCUPE-UHFFFAOYSA-N
XLogP1.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,5-dimethyl-2H-pyrimidine?
The IUPAC name of 2-fluoro-1,5-dimethyl-2H-pyrimidine (CID 146392525) is 2-fluoro-1,5-dimethyl-2H-pyrimidine.
What is the SMILES notation for 2-fluoro-1,5-dimethyl-2H-pyrimidine?
The canonical SMILES for 2-fluoro-1,5-dimethyl-2H-pyrimidine is CC1=CN(C)C(F)N=C1.
What is the InChIKey of 2-fluoro-1,5-dimethyl-2H-pyrimidine?
The InChIKey is ATMRBBXYKRCUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-5-3-8-6(7)9(2)4-5/h3-4,6H,1-2H3.
What are the key properties of 2-fluoro-1,5-dimethyl-2H-pyrimidine?
2-fluoro-1,5-dimethyl-2H-pyrimidine has a molecular weight of 128.15 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,5-dimethyl-2H-pyrimidine is sourced from PubChem (CID 146392525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).