2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine

C9H12FN3 — CID 130611542

IUPAC2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine
SMILESCC1CC(C)N1c1ncc(F)cn1
InChIInChI=1S/C9H12FN3/c1-6-3-7(2)13(6)9-11-4-8(10)5-12-9/h4-7H,3H2,1-2H3
InChIKeyQGRPPHLHJXXVLW-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.60
Rot. Bonds1

About 2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine

2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine (PubChem CID 130611542) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine
PubChem CID130611542
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine
SMILESCC1CC(C)N1c1ncc(F)cn1
InChIInChI=1S/C9H12FN3/c1-6-3-7(2)13(6)9-11-4-8(10)5-12-9/h4-7H,3H2,1-2H3
InChIKeyQGRPPHLHJXXVLW-UHFFFAOYSA-N
XLogP1.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 170154976
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
2-[(3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazin-1-yl]-5-iodopyrimidine
CID 178161798
2-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]-5-iodopyrimidine
CID 178161769
2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid
CID 135382824
2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 176692456
4-(5-fluoropyrimidin-2-yl)thiomorpholine
CID 119103581
1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine
CID 104605818
5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 121020713
2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
CID 106838724
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127
2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide
CID 166953281

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine?
The IUPAC name of 2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine (CID 130611542) is 2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine is CC1CC(C)N1c1ncc(F)cn1.
What is the InChIKey of 2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine?
The InChIKey is QGRPPHLHJXXVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c1-6-3-7(2)13(6)9-11-4-8(10)5-12-9/h4-7H,3H2,1-2H3.
What are the key properties of 2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine?
2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine has a molecular weight of 181.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylazetidin-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 130611542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).