4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline

C17H13FN6 — CID 144718108

IUPAC4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline
SMILESCNc1ccc(F)c(-c2cn3cc(-c4cnccn4)cnc3n2)c1
InChIInChI=1S/C17H13FN6/c1-19-12-2-3-14(18)13(6-12)16-10-24-9-11(7-22-17(24)23-16)15-8-20-4-5-21-15/h2-10,19H,1H3
InChIKeyVBKHHCVCOZCOOW-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.03
Rot. Bonds3

About 4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline

4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline (PubChem CID 144718108) has the molecular formula C17H13FN6 and a molecular weight of 320.33 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline
PubChem CID144718108
Molecular FormulaC17H13FN6
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC Name4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline
SMILESCNc1ccc(F)c(-c2cn3cc(-c4cnccn4)cnc3n2)c1
InChIInChI=1S/C17H13FN6/c1-19-12-2-3-14(18)13(6-12)16-10-24-9-11(7-22-17(24)23-16)15-8-20-4-5-21-15/h2-10,19H,1H3
InChIKeyVBKHHCVCOZCOOW-UHFFFAOYSA-N
XLogP3.03
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline
CID 144718172
4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline
CID 144718037
acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline
CID 144718161
4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride
CID 118875275
N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118875238
2-(2-fluoro-5-methylphenyl)-6-(5-fluoro-3-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidine
CID 144718157
N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 118875214
N-[4-chloro-3-[6-[4-(methylamino)phenyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 86296948
propan-2-yl N-[2-(2-fluoro-5-nitrosophenyl)imidazo[1,2-a]pyrimidin-6-yl]carbamate
CID 123921850
3-fluoro-N-[4-fluoro-3-[6-(propan-2-ylamino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 123265101
N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 159449093
N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide
CID 123695711

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline?
The IUPAC name of 4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline (CID 144718108) is 4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline.
What is the SMILES notation for 4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline?
The canonical SMILES for 4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline is CNc1ccc(F)c(-c2cn3cc(-c4cnccn4)cnc3n2)c1.
What is the InChIKey of 4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline?
The InChIKey is VBKHHCVCOZCOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6/c1-19-12-2-3-14(18)13(6-12)16-10-24-9-11(7-22-17(24)23-16)15-8-20-4-5-21-15/h2-10,19H,1H3.
What are the key properties of 4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline?
4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline has a molecular weight of 320.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline is sourced from PubChem (CID 144718108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).