1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine

C14H19FN4O — CID 176652847

IUPAC1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine
SMILESCCCCc1cn2cc(OCC(N)C=CF)cnc2n1
InChIInChI=1S/C14H19FN4O/c1-2-3-4-12-8-19-9-13(7-17-14(19)18-12)20-10-11(16)5-6-15/h5-9,11H,2-4,10,16H2,1H3
InChIKeyOHGQUSIPNMVTMV-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.26
Rot. Bonds7

About 1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine

1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine (PubChem CID 176652847) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine.

Molecular Properties

Compound Name1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine
PubChem CID176652847
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine
SMILESCCCCc1cn2cc(OCC(N)C=CF)cnc2n1
InChIInChI=1S/C14H19FN4O/c1-2-3-4-12-8-19-9-13(7-17-14(19)18-12)20-10-11(16)5-6-15/h5-9,11H,2-4,10,16H2,1H3
InChIKeyOHGQUSIPNMVTMV-UHFFFAOYSA-N
XLogP2.26
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 175150044
(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)methanamine
CID 83779665
6-bromo-2-propylimidazo[1,2-a]pyrimidine
CID 115404624
[6-(2-methylphenyl)imidazo[1,2-a]pyrimidin-2-yl]methanamine
CID 117000165
3-butylbenzo[g]quinoxaline
CID 156775499
2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506591
2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]imidazo[1,2-b]pyridazine
CID 163679543
6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 122506719
4-methyl-3-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506562
N-butan-2-yl-4-butyl-N-(3,3-dimethylbutyl)pyrimidin-2-amine
CID 18735571
11-methoxy-4-pentyl-7-oxa-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene
CID 68605698
2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole
CID 70110562

Frequently Asked Questions

What is the IUPAC name of 1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine?
The IUPAC name of 1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine (CID 176652847) is 1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine.
What is the SMILES notation for 1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine?
The canonical SMILES for 1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine is CCCCc1cn2cc(OCC(N)C=CF)cnc2n1.
What is the InChIKey of 1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine?
The InChIKey is OHGQUSIPNMVTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-2-3-4-12-8-19-9-13(7-17-14(19)18-12)20-10-11(16)5-6-15/h5-9,11H,2-4,10,16H2,1H3.
What are the key properties of 1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine?
1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine has a molecular weight of 278.33 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylimidazo[1,2-a]pyrimidin-6-yl)oxy-4-fluorobut-3-en-2-amine is sourced from PubChem (CID 176652847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).