2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine

C6H11FN2 — CID 150760065

IUPAC2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine
SMILESCN1C=CCN(C)C1F
InChIInChI=1S/C6H11FN2/c1-8-4-3-5-9(2)6(8)7/h3-4,6H,5H2,1-2H3
InChIKeyJXQQJOHUNCJRQN-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.63
Rot. Bonds

About 2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine

2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine (PubChem CID 150760065) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine.

Molecular Properties

Compound Name2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine
PubChem CID150760065
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine
SMILESCN1C=CCN(C)C1F
InChIInChI=1S/C6H11FN2/c1-8-4-3-5-9(2)6(8)7/h3-4,6H,5H2,1-2H3
InChIKeyJXQQJOHUNCJRQN-UHFFFAOYSA-N
XLogP0.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.63
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-1,3-dimethyl-2,4-dihydropyrimidine?
The IUPAC name of 2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine (CID 150760065) is 2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine.
What is the SMILES notation for 2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine?
The canonical SMILES for 2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine is CN1C=CCN(C)C1F.
What is the InChIKey of 2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine?
The InChIKey is JXQQJOHUNCJRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-8-4-3-5-9(2)6(8)7/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine?
2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine has a molecular weight of 130.17 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethyl-2,4-dihydropyrimidine is sourced from PubChem (CID 150760065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).