2-fluoro-1-propan-2-yl-2H-pyrimidine

C7H11FN2 — CID 150418840

IUPAC2-fluoro-1-propan-2-yl-2H-pyrimidine
SMILESCC(C)N1C=CC=NC1F
InChIInChI=1S/C7H11FN2/c1-6(2)10-5-3-4-9-7(10)8/h3-7H,1-2H3
InChIKeyHHIPUVJAPJHFFO-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.55
Rot. Bonds1

About 2-fluoro-1-propan-2-yl-2H-pyrimidine

2-fluoro-1-propan-2-yl-2H-pyrimidine (PubChem CID 150418840) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-fluoro-1-propan-2-yl-2H-pyrimidine.

Molecular Properties

Compound Name2-fluoro-1-propan-2-yl-2H-pyrimidine
PubChem CID150418840
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name2-fluoro-1-propan-2-yl-2H-pyrimidine
SMILESCC(C)N1C=CC=NC1F
InChIInChI=1S/C7H11FN2/c1-6(2)10-5-3-4-9-7(10)8/h3-7H,1-2H3
InChIKeyHHIPUVJAPJHFFO-UHFFFAOYSA-N
XLogP1.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.55
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-propan-2-yl-2H-pyrimidine?
The IUPAC name of 2-fluoro-1-propan-2-yl-2H-pyrimidine (CID 150418840) is 2-fluoro-1-propan-2-yl-2H-pyrimidine.
What is the SMILES notation for 2-fluoro-1-propan-2-yl-2H-pyrimidine?
The canonical SMILES for 2-fluoro-1-propan-2-yl-2H-pyrimidine is CC(C)N1C=CC=NC1F.
What is the InChIKey of 2-fluoro-1-propan-2-yl-2H-pyrimidine?
The InChIKey is HHIPUVJAPJHFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-6(2)10-5-3-4-9-7(10)8/h3-7H,1-2H3.
What are the key properties of 2-fluoro-1-propan-2-yl-2H-pyrimidine?
2-fluoro-1-propan-2-yl-2H-pyrimidine has a molecular weight of 142.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-propan-2-yl-2H-pyrimidine is sourced from PubChem (CID 150418840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).