ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine

C12H22FN3 — CID 142345663

IUPACethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine
SMILESCC.CC.Cc1cnc(N2CC(F)C2)nc1
InChIInChI=1S/C8H10FN3.2C2H6/c1-6-2-10-8(11-3-6)12-4-7(9)5-12;2*1-2/h2-3,7H,4-5H2,1H3;2*1-2H3
InChIKeyDELGYLPGQHZZQE-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.00
Rot. Bonds1

About ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine

ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine (PubChem CID 142345663) has the molecular formula C12H22FN3 and a molecular weight of 227.33 g/mol. Its IUPAC name is ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Nameethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine
PubChem CID142345663
Molecular FormulaC12H22FN3
Molecular Weight227.33 g/mol
Exact Mass227.18
IUPAC Nameethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine
SMILESCC.CC.Cc1cnc(N2CC(F)C2)nc1
InChIInChI=1S/C8H10FN3.2C2H6/c1-6-2-10-8(11-3-6)12-4-7(9)5-12;2*1-2/h2-3,7H,4-5H2,1H3;2*1-2H3
InChIKeyDELGYLPGQHZZQE-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 133404241
2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid
CID 116681869
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide
CID 98778833
5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122106606
2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 114800840
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
1-(5-methylpyrimidin-2-yl)piperidin-4-one
CID 63208322
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627788
ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine
CID 178161753

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine?
The IUPAC name of ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine (CID 142345663) is ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine?
The canonical SMILES for ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine is CC.CC.Cc1cnc(N2CC(F)C2)nc1.
What is the InChIKey of ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine?
The InChIKey is DELGYLPGQHZZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3.2C2H6/c1-6-2-10-8(11-3-6)12-4-7(9)5-12;2*1-2/h2-3,7H,4-5H2,1H3;2*1-2H3.
What are the key properties of ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine?
ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine has a molecular weight of 227.33 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 142345663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).