2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine

C12H14FN3 — CID 178058203

IUPAC2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine
SMILESCc1cnc2nc(C3CC(C)(F)C3)cn2c1
InChIInChI=1S/C12H14FN3/c1-8-5-14-11-15-10(7-16(11)6-8)9-3-12(2,13)4-9/h5-7,9H,3-4H2,1-2H3
InChIKeyLDJKVESUFQPOMF-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.64
Rot. Bonds1

About 2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine

2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine (PubChem CID 178058203) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine
PubChem CID178058203
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine
SMILESCc1cnc2nc(C3CC(C)(F)C3)cn2c1
InChIInChI=1S/C12H14FN3/c1-8-5-14-11-15-10(7-16(11)6-8)9-3-12(2,13)4-9/h5-7,9H,3-4H2,1-2H3
InChIKeyLDJKVESUFQPOMF-UHFFFAOYSA-N
XLogP2.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 87203021
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CID 89408641
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CID 117871697
CID 117871697
CID 141397861
CID 141397861
CID 141397873
CID 141397873
CID 153470243
CID 153470243
CID 166941635
CID 166941635
CID 168099637
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CID 170784742
CID 170784742

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine (CID 178058203) is 2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine is Cc1cnc2nc(C3CC(C)(F)C3)cn2c1.
What is the InChIKey of 2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine?
The InChIKey is LDJKVESUFQPOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-5-14-11-15-10(7-16(11)6-8)9-3-12(2,13)4-9/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine?
2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine has a molecular weight of 219.26 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3-methylcyclobutyl)-6-methylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 178058203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).